2-methylpropyl 1-[(3-cyanophenyl)methyl]-6-methyl-4-(2-methylphenyl)-2-oxidanylidene-3,4-dihydropyridine-5-carboxylate

Systemtic Name: 2-methylpropyl 1-[(3-cyanophenyl)methyl]-6-methyl-4-(2-methylphenyl)-2-oxidanylidene-3,4-dihydropyridine-5-carboxylate Openeye Name: isobutyl 1-[(3-cyanophenyl)methyl]-6-methyl-4-(o-tolyl)-2-oxo-3,4-dihydropyridine-5-carboxylate CAS Name: 1-[(3-cyanophenyl)methyl]-6-methyl-4-(2-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 1-[(3-cyanophenyl)methyl]-6-methyl-4-(2-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate Traditional Name: 1-(3-cyanobenzyl)-2-keto-6-methyl-4-(o-tolyl)-3,4-dihydropyridine-5-carboxylic acid isobutyl ester Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CC(=O)N(C(=C2C(=O)OCC(C)C)C)CC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC=CC=C1C2CC(=O)N(C(=C2C(=O)OCC(C)C)C)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C26H28N2O3/c1-17(2)16-31-26(30)25-19(4)28(15-21-10-7-9-20(12-21)14-27)24(29)13-23(25)22-11-6-5-8-18(22)3/h5-12,17,23H,13,15-16H2,1-4H3