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

Systemtic Name: O3-methyl O5-(3-pyridin-3-ylprop-2-ynyl) 2-(4-imidazol-1-ylphenyl)-6-methyl-4-octyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-methyl O5-[3-(3-pyridyl)prop-2-ynyl] 2-(4-imidazol-1-ylphenyl)-6-methyl-4-octyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[4-(1-imidazolyl)phenyl]-6-methyl-4-octyl-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-(4-imidazol-1-ylphenyl)-6-methyl-4-octyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-(4-imidazol-1-ylphenyl)-6-methyl-4-octyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[3-(3-pyridyl)prop-2-ynyl] ester Formula: C34H38N4O4 MolecularWeight: 566.68992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(=C(NC(=C1C(=O)OC)C2=CC=C(C=C2)N3C=CN=C3)C)C(=O)OCC#CC4=CN=CC=C4

Isomeric SMILES

CCCCCCCCC1C(=C(NC(=C1C(=O)OC)C2=CC=C(C=C2)N3C=CN=C3)C)C(=O)OCC#CC4=CN=CC=C4

InChI

InChI=1S/C34H38N4O4/c1-4-5-6-7-8-9-14-29-30(34(40)42-22-11-13-26-12-10-19-35-23-26)25(2)37-32(31(29)33(39)41-3)27-15-17-28(18-16-27)38-21-20-36-24-38/h10,12,15-21,23-24,29,37H,4-9,14,22H2,1-3H3