(4-cyanophenyl)methyl 2-(4-chlorophenyl)-3-methyl-butanoate

Systemtic Name: (4-cyanophenyl)methyl 2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: (4-cyanophenyl)methyl 2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: 2-(4-chlorophenyl)-3-methylbutanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: 2-(4-chlorophenyl)-3-methyl-butyric acid (4-cyanobenzyl) ester Formula: C19H18ClNO2 MolecularWeight: 327.80472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H18ClNO2/c1-13(2)18(16-7-9-17(20)10-8-16)19(22)23-12-15-5-3-14(11-21)4-6-15/h3-10,13,18H,12H2,1-2H3