Molecule record

5-O-[2-[benzyl(methyl)amino]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

C₂₆H₂₉N₃O₆

479.53 g/mol

Loading structure

Molecular properties

Formula: C₂₆H₂₉N₃O₆
Molar mass: 479.53 g·mol⁻¹
Exact mass: 479.2056 Da
: 14
PubChem CID: 4474

Functional groups

Alkane / alkyl carbon

Alkene

Aromatic ring

Ester

Ether

Nitro compound

Secondary amine

Tertiary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

259-932-3
3-(2-(benzyl(methyl)amino)ethyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
55985-32-5
C08CA04
CHEBI:7550
CZ5312222S
Cardene
Cardene (TN)

Show all 24 synonyms

DTXCID903363
DTXSID6023363
Hydrochloride, Nicardipine
LA, Nicardipine
Nicardipine (INN)
Nicardipine (stn)
Nicardipino
Nicardipino [INN-Spanish]
Nicardipinum
Nicardipinum [INN-Latin]
O5-methyl O3-(2-(methyl-(phenylmethyl)amino)ethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Perpidine
RefChem:56587
YC-93 (free base)
nicardipina
nicardipine

Structure identifiers

Canonical SMILES: COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1
Isomeric SMILES: CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC
InChI: InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3
InChIKey: ZBBHBTPTTSWHBA-UHFFFAOYSA-N
PubChem CID: 4474

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 5-O-[2-[benzyl(methyl)amino]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 5-O-[2-[benzyl(methyl)amino]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

Open source record