(4-chlorophenyl) 2-cyano-3-methyl-3-phenoxy-2-(phenylmethyl)butanoate

Systemtic Name: (4-chlorophenyl) 2-cyano-3-methyl-3-phenoxy-2-(phenylmethyl)butanoate Openeye Name: (4-chlorophenyl) 2-benzyl-2-cyano-3-methyl-3-phenoxy-butanoate CAS Name: 2-cyano-3-methyl-3-phenoxy-2-(phenylmethyl)butanoic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 2-benzyl-2-cyano-3-methyl-3-phenoxybutanoate Traditional Name: 2-benzyl-2-cyano-3-methyl-3-phenoxy-butyric acid (4-chlorophenyl) ester Formula: C25H22ClNO3 MolecularWeight: 419.90008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(CC1=CC=CC=C1)(C#N)C(=O)OC2=CC=C(C=C2)Cl)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C(CC1=CC=CC=C1)(C#N)C(=O)OC2=CC=C(C=C2)Cl)OC3=CC=CC=C3

InChI

InChI=1S/C25H22ClNO3/c1-24(2,30-22-11-7-4-8-12-22)25(18-27,17-19-9-5-3-6-10-19)23(28)29-21-15-13-20(26)14-16-21/h3-16H,17H2,1-2H3