O3-ethyl O5-(3-pyridin-3-ylprop-2-ynyl) 2-[3-(benzimidazol-1-yl)phenyl]-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-(3-pyridin-3-ylprop-2-ynyl) 2-[3-(benzimidazol-1-yl)phenyl]-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-[3-(3-pyridyl)prop-2-ynyl] 2-[3-(benzimidazol-1-yl)phenyl]-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[3-(1-benzimidazolyl)phenyl]-6-methyl-4-phenethyl-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) 2-[3-(benzimidazol-1-yl)phenyl]-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[3-(benzimidazol-1-yl)phenyl]-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-[3-(3-pyridyl)prop-2-ynyl] ester Formula: C39H34N4O4 MolecularWeight: 622.71166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1CCC2=CC=CC=C2)C(=O)OCC#CC3=CN=CC=C3)C)C4=CC(=CC=C4)N5C=NC6=CC=CC=C65

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1CCC2=CC=CC=C2)C(=O)OCC#CC3=CN=CC=C3)C)C4=CC(=CC=C4)N5C=NC6=CC=CC=C65

InChI

InChI=1S/C39H34N4O4/c1-3-46-39(45)36-32(21-20-28-12-5-4-6-13-28)35(38(44)47-23-11-15-29-14-10-22-40-25-29)27(2)42-37(36)30-16-9-17-31(24-30)43-26-41-33-18-7-8-19-34(33)43/h4-10,12-14,16-19,22,24-26,32,42H,3,20-21,23H2,1-2H3