ethyl 1-[[3-(butylcarbamoyl)phenyl]methyl]-4-(4-chlorophenyl)-6-methyl-2-oxidanylidene-3,4-dihydropyridine-5-carboxylate

Systemtic Name: ethyl 1-[[3-(butylcarbamoyl)phenyl]methyl]-4-(4-chlorophenyl)-6-methyl-2-oxidanylidene-3,4-dihydropyridine-5-carboxylate Openeye Name: ethyl 1-[[3-(butylcarbamoyl)phenyl]methyl]-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate CAS Name: 1-[[3-[butylamino(oxo)methyl]phenyl]methyl]-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(butylcarbamoyl)phenyl]methyl]-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate Traditional Name: 1-[3-(butylcarbamoyl)benzyl]-4-(4-chlorophenyl)-2-keto-6-methyl-3,4-dihydropyridine-5-carboxylic acid ethyl ester Formula: C27H31ClN2O4 MolecularWeight: 482.99904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=CC=C1)CN2C(=C(C(CC2=O)C3=CC=C(C=C3)Cl)C(=O)OCC)C

Isomeric SMILES

CCCCNC(=O)C1=CC(=CC=C1)CN2C(=C(C(CC2=O)C3=CC=C(C=C3)Cl)C(=O)OCC)C

InChI

InChI=1S/C27H31ClN2O4/c1-4-6-14-29-26(32)21-9-7-8-19(15-21)17-30-18(3)25(27(33)34-5-2)23(16-24(30)31)20-10-12-22(28)13-11-20/h7-13,15,23H,4-6,14,16-17H2,1-3H3,(H,29,32)