(3-cyanophenyl)methyl 4-(4-chlorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: (3-cyanophenyl)methyl 4-(4-chlorophenyl)-4-oxidanylidene-butanoate Openeye Name: (3-cyanophenyl)methyl 4-(4-chlorophenyl)-4-oxo-butanoate CAS Name: 4-(4-chlorophenyl)-4-oxobutanoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-(4-chlorophenyl)-4-oxobutanoate Traditional Name: 4-(4-chlorophenyl)-4-keto-butyric acid (3-cyanobenzyl) ester Formula: C18H14ClNO3 MolecularWeight: 327.76166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC(=O)CCC(=O)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)COC(=O)CCC(=O)C2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C18H14ClNO3/c19-16-6-4-15(5-7-16)17(21)8-9-18(22)23-12-14-3-1-2-13(10-14)11-20/h1-7,10H,8-9,12H2