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

Systemtic Name: O3-methyl O5-(3-pyridin-3-ylprop-2-ynyl) 2-(3-imidazol-1-ylphenyl)-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-methyl O5-[3-(3-pyridyl)prop-2-ynyl] 2-(3-imidazol-1-ylphenyl)-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[3-(1-imidazolyl)phenyl]-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[3-(3-pyridinyl)prop-2-ynyl] ester IUPAC Name: 3-O-methyl 5-O-(3-pyridin-3-ylprop-2-ynyl) 2-(3-imidazol-1-ylphenyl)-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-(3-imidazol-1-ylphenyl)-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[3-(3-pyridyl)prop-2-ynyl] ester Formula: C34H30N4O4 MolecularWeight: 558.6264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C2=CC(=CC=C2)N3C=CN=C3)C(=O)OC)CCC4=CC=CC=C4)C(=O)OCC#CC5=CN=CC=C5

Isomeric SMILES

CC1=C(C(C(=C(N1)C2=CC(=CC=C2)N3C=CN=C3)C(=O)OC)CCC4=CC=CC=C4)C(=O)OCC#CC5=CN=CC=C5

InChI

InChI=1S/C34H30N4O4/c1-24-30(34(40)42-20-8-12-26-11-7-17-35-22-26)29(16-15-25-9-4-3-5-10-25)31(33(39)41-2)32(37-24)27-13-6-14-28(21-27)38-19-18-36-23-38/h3-7,9-11,13-14,17-19,21-23,29,37H,15-16,20H2,1-2H3