(3-chlorophenyl) 2-(cyanomethyl)-2-phenyl-butanoate

Systemtic Name: (3-chlorophenyl) 2-(cyanomethyl)-2-phenyl-butanoate Openeye Name: (3-chlorophenyl) 2-(cyanomethyl)-2-phenyl-butanoate CAS Name: 2-(cyanomethyl)-2-phenylbutanoic acid (3-chlorophenyl) ester IUPAC Name: (3-chlorophenyl) 2-(cyanomethyl)-2-phenylbutanoate Traditional Name: 2-(cyanomethyl)-2-phenyl-butyric acid (3-chlorophenyl) ester Formula: C18H16ClNO2 MolecularWeight: 313.77814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)(C1=CC=CC=C1)C(=O)OC2=CC(=CC=C2)Cl

Isomeric SMILES

CCC(CC#N)(C1=CC=CC=C1)C(=O)OC2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H16ClNO2/c1-2-18(11-12-20,14-7-4-3-5-8-14)17(21)22-16-10-6-9-15(19)13-16/h3-10,13H,2,11H2,1H3