6-[4-(benzimidazol-1-yl)phenyl]-4-(cyclohexylidenemethyl)-5-ethoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 6-[4-(benzimidazol-1-yl)phenyl]-4-(cyclohexylidenemethyl)-5-ethoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 6-[4-(benzimidazol-1-yl)phenyl]-4-(cyclohexylidenemethyl)-5-ethoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 6-[4-(1-benzimidazolyl)phenyl]-4-(cyclohexylidenemethyl)-5-ethoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 6-[4-(benzimidazol-1-yl)phenyl]-4-(cyclohexylidenemethyl)-5-ethoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 6-[4-(benzimidazol-1-yl)phenyl]-5-carbethoxy-4-(cyclohexylidenemethyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid Formula: C30H31N3O4 MolecularWeight: 497.58484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C=C2CCCCC2)C(=O)O)C)C3=CC=C(C=C3)N4C=NC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C=C2CCCCC2)C(=O)O)C)C3=CC=C(C=C3)N4C=NC5=CC=CC=C54

InChI

InChI=1S/C30H31N3O4/c1-3-37-30(36)27-23(17-20-9-5-4-6-10-20)26(29(34)35)19(2)32-28(27)21-13-15-22(16-14-21)33-18-31-24-11-7-8-12-25(24)33/h7-8,11-18,23,32H,3-6,9-10H2,1-2H3,(H,34,35)