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

Systemtic Name: O3-ethyl O5-(3-pyridin-3-ylprop-2-ynyl) 2-(3-imidazol-1-ylphenyl)-6-methyl-4-pentyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-[3-(3-pyridyl)prop-2-ynyl] 2-(3-imidazol-1-ylphenyl)-6-methyl-4-pentyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[3-(1-imidazolyl)phenyl]-6-methyl-4-pentyl-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-imidazol-1-ylphenyl)-6-methyl-4-pentyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-amyl-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: C32H34N4O4 MolecularWeight: 538.63676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(=C(NC(=C1C(=O)OCC)C2=CC(=CC=C2)N3C=CN=C3)C)C(=O)OCC#CC4=CN=CC=C4

Isomeric SMILES

CCCCCC1C(=C(NC(=C1C(=O)OCC)C2=CC(=CC=C2)N3C=CN=C3)C)C(=O)OCC#CC4=CN=CC=C4

InChI

InChI=1S/C32H34N4O4/c1-4-6-7-15-27-28(31(37)40-19-10-12-24-11-9-16-33-21-24)23(3)35-30(29(27)32(38)39-5-2)25-13-8-14-26(20-25)36-18-17-34-22-36/h8-9,11,13-14,16-18,20-22,27,35H,4-7,15,19H2,1-3H3