bis(3-pyridin-3-ylpropyl) 2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: bis(3-pyridin-3-ylpropyl) 2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: bis[3-(3-pyridyl)propyl] 2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(1-methyl-5-nitro-2-imidazolyl)-1,4-dihydropyridine-3,5-dicarboxylic acid bis[3-(3-pyridinyl)propyl] ester IUPAC Name: bis(3-pyridin-3-ylpropyl) 2,6-dimethyl-4-(1-methyl-5-nitroimidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid bis[3-(3-pyridyl)propyl] ester Formula: C29H32N6O6 MolecularWeight: 560.60098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCCC2=CN=CC=C2)C3=NC=C(N3C)[N+](=O)[O-])C(=O)OCCCC4=CN=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCCC2=CN=CC=C2)C3=NC=C(N3C)[N+](=O)[O-])C(=O)OCCCC4=CN=CC=C4

InChI

InChI=1S/C29H32N6O6/c1-19-24(28(36)40-14-6-10-21-8-4-12-30-16-21)26(27-32-18-23(34(27)3)35(38)39)25(20(2)33-19)29(37)41-15-7-11-22-9-5-13-31-17-22/h4-5,8-9,12-13,16-18,26,33H,6-7,10-11,14-15H2,1-3H3