methyl 5-cyano-2-ethyl-4-(4-methylphenyl)-6-(2-methylpropyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-2-ethyl-4-(4-methylphenyl)-6-(2-methylpropyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 5-cyano-2-ethyl-6-isobutyl-4-(p-tolyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-ethyl-4-(4-methylphenyl)-6-(2-methylpropyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-2-ethyl-4-(4-methylphenyl)-6-(2-methylpropyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-2-ethyl-6-isobutyl-4-(p-tolyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C(=C(N1)CC(C)C)C#N)C2=CC=C(C=C2)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(C(=C(N1)CC(C)C)C#N)C2=CC=C(C=C2)C)C(=O)OC

InChI

InChI=1S/C21H26N2O2/c1-6-17-20(21(24)25-5)19(15-9-7-14(4)8-10-15)16(12-22)18(23-17)11-13(2)3/h7-10,13,19,23H,6,11H2,1-5H3