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

Systemtic Name: methyl 3-(3-chlorophenyl)-4-cyano-4-phenyl-butanoate Openeye Name: methyl 3-(3-chlorophenyl)-4-cyano-4-phenyl-butanoate CAS Name: 3-(3-chlorophenyl)-4-cyano-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 3-(3-chlorophenyl)-4-cyano-4-phenylbutanoate Traditional Name: 3-(3-chlorophenyl)-4-cyano-4-phenyl-butyric acid methyl ester Formula: C18H16ClNO2 MolecularWeight: 313.77814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO2/c1-22-18(21)11-16(14-8-5-9-15(19)10-14)17(12-20)13-6-3-2-4-7-13/h2-10,16-17H,11H2,1H3