O3-methyl O5-(1-phenyl-4-piperidin-1-yl-butyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-methyl O5-(1-phenyl-4-piperidin-1-yl-butyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-methyl O5-[1-phenyl-4-(1-piperidyl)butyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[1-phenyl-4-(1-piperidinyl)butyl] ester IUPAC Name: 3-O-methyl 5-O-(1-phenyl-4-piperidin-1-ylbutyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-(1-phenyl-4-piperidino-butyl) ester Formula: C31H37N3O6 MolecularWeight: 547.64198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(CCCN2CCCCC2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(CCCN2CCCCC2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C31H37N3O6/c1-21-27(30(35)39-3)29(24-14-10-15-25(20-24)34(37)38)28(22(2)32-21)31(36)40-26(23-12-6-4-7-13-23)16-11-19-33-17-8-5-9-18-33/h4,6-7,10,12-15,20,26,29,32H,5,8-9,11,16-19H2,1-3H3