methyl 4-(3-chlorophenyl)-3-cyano-butanoate

Systemtic Name: methyl 4-(3-chlorophenyl)-3-cyano-butanoate Openeye Name: methyl 4-(3-chlorophenyl)-3-cyano-butanoate CAS Name: 4-(3-chlorophenyl)-3-cyanobutanoic acid methyl ester IUPAC Name: methyl 4-(3-chlorophenyl)-3-cyanobutanoate Traditional Name: 4-(3-chlorophenyl)-3-cyano-butyric acid methyl ester Formula: C12H12ClNO2 MolecularWeight: 237.68218

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC1=CC(=CC=C1)Cl)C#N

Isomeric SMILES

COC(=O)CC(CC1=CC(=CC=C1)Cl)C#N

InChI

InChI=1S/C12H12ClNO2/c1-16-12(15)7-10(8-14)5-9-3-2-4-11(13)6-9/h2-4,6,10H,5,7H2,1H3