ethyl 4-cyano-4-(2-methylphenyl)-3-phenyl-butanoate

Systemtic Name: ethyl 4-cyano-4-(2-methylphenyl)-3-phenyl-butanoate Openeye Name: ethyl 4-cyano-4-(o-tolyl)-3-phenyl-butanoate CAS Name: 4-cyano-4-(2-methylphenyl)-3-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 4-cyano-4-(2-methylphenyl)-3-phenylbutanoate Traditional Name: 4-cyano-4-(o-tolyl)-3-phenyl-butyric acid ethyl ester Formula: C20H21NO2 MolecularWeight: 307.38624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)C(C#N)C2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)C(C#N)C2=CC=CC=C2C

InChI

InChI=1S/C20H21NO2/c1-3-23-20(22)13-18(16-10-5-4-6-11-16)19(14-21)17-12-8-7-9-15(17)2/h4-12,18-19H,3,13H2,1-2H3