O3-methyl O5-[2-piperidin-1-yl-1-(1H-pyrrol-2-yl)ethyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-methyl O5-[2-piperidin-1-yl-1-(1H-pyrrol-2-yl)ethyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-methyl O5-[2-(1-piperidyl)-1-(1H-pyrrol-2-yl)ethyl] 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-[2-(1-piperidinyl)-1-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: 3-O-methyl 5-O-[2-piperidin-1-yl-1-(1H-pyrrol-2-yl)ethyl] 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-[2-piperidino-1-(1H-pyrrol-2-yl)ethyl] ester Formula: C27H32N4O6 MolecularWeight: 508.56618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(CN2CCCCC2)C3=CC=CN3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(CN2CCCCC2)C3=CC=CN3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C27H32N4O6/c1-17-23(26(32)36-3)25(19-9-7-10-20(15-19)31(34)35)24(18(2)29-17)27(33)37-22(21-11-8-12-28-21)16-30-13-5-4-6-14-30/h7-12,15,22,25,28-29H,4-6,13-14,16H2,1-3H3