O3-ethyl O5-(4-pyridin-3-ylbut-3-yn-2-yl) 2-(4-imidazol-1-ylphenyl)-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-(4-pyridin-3-ylbut-3-yn-2-yl) 2-(4-imidazol-1-ylphenyl)-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-[1-methyl-3-(3-pyridyl)prop-2-ynyl] 2-(4-imidazol-1-ylphenyl)-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[4-(1-imidazolyl)phenyl]-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-[4-(3-pyridinyl)but-3-yn-2-yl] ester IUPAC Name: 3-O-ethyl 5-O-(4-pyridin-3-ylbut-3-yn-2-yl) 2-(4-imidazol-1-ylphenyl)-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-(4-imidazol-1-ylphenyl)-6-methyl-4-phenethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-[1-methyl-3-(3-pyridyl)prop-2-ynyl] ester Formula: C36H34N4O4 MolecularWeight: 586.67956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1CCC2=CC=CC=C2)C(=O)OC(C)C#CC3=CN=CC=C3)C)C4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1CCC2=CC=CC=C2)C(=O)OC(C)C#CC3=CN=CC=C3)C)C4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C36H34N4O4/c1-4-43-35(41)33-31(19-14-27-9-6-5-7-10-27)32(36(42)44-25(2)12-13-28-11-8-20-37-23-28)26(3)39-34(33)29-15-17-30(18-16-29)40-22-21-38-24-40/h5-11,15-18,20-25,31,39H,4,14,19H2,1-3H3