O3-ethyl O5-(3-pyridin-3-ylprop-2-ynyl) 4-cyclohexyl-2-(3-imidazol-1-ylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-(3-pyridin-3-ylprop-2-ynyl) 4-cyclohexyl-2-(3-imidazol-1-ylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-[3-(3-pyridyl)prop-2-ynyl] 4-cyclohexyl-2-(3-imidazol-1-ylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-cyclohexyl-2-[3-(1-imidazolyl)phenyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-[3-(3-pyridinyl)prop-2-ynyl] ester IUPAC Name: 3-O-ethyl 5-O-(3-pyridin-3-ylprop-2-ynyl) 4-cyclohexyl-2-(3-imidazol-1-ylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-cyclohexyl-2-(3-imidazol-1-ylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-[3-(3-pyridyl)prop-2-ynyl] ester Formula: C33H34N4O4 MolecularWeight: 550.64746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2CCCCC2)C(=O)OCC#CC3=CN=CC=C3)C)C4=CC(=CC=C4)N5C=CN=C5

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2CCCCC2)C(=O)OCC#CC3=CN=CC=C3)C)C4=CC(=CC=C4)N5C=CN=C5

InChI

InChI=1S/C33H34N4O4/c1-3-40-33(39)30-29(25-12-5-4-6-13-25)28(32(38)41-19-9-11-24-10-8-16-34-21-24)23(2)36-31(30)26-14-7-15-27(20-26)37-18-17-35-22-37/h7-8,10,14-18,20-22,25,29,36H,3-6,12-13,19H2,1-2H3