bis(3-pyridin-3-ylpropyl) 2,6-dimethyl-4-(2,4,4-trimethylpentyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: bis(3-pyridin-3-ylpropyl) 2,6-dimethyl-4-(2,4,4-trimethylpentyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: bis[3-(3-pyridyl)propyl] 2,6-dimethyl-4-(2,4,4-trimethylpentyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(2,4,4-trimethylpentyl)-1,4-dihydropyridine-3,5-dicarboxylic acid bis[3-(3-pyridinyl)propyl] ester IUPAC Name: bis(3-pyridin-3-ylpropyl) 2,6-dimethyl-4-(2,4,4-trimethylpentyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(2,4,4-trimethylpentyl)-1,4-dihydropyridine-3,5-dicarboxylic acid bis[3-(3-pyridyl)propyl] ester Formula: C33H45N3O4 MolecularWeight: 547.7281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCCC2=CN=CC=C2)CC(C)CC(C)(C)C)C(=O)OCCCC3=CN=CC=C3

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCCC2=CN=CC=C2)CC(C)CC(C)(C)C)C(=O)OCCCC3=CN=CC=C3

InChI

InChI=1S/C33H45N3O4/c1-23(20-33(4,5)6)19-28-29(31(37)39-17-9-13-26-11-7-15-34-21-26)24(2)36-25(3)30(28)32(38)40-18-10-14-27-12-8-16-35-22-27/h7-8,11-12,15-16,21-23,28,36H,9-10,13-14,17-20H2,1-6H3