4-cyano-4-(2-methylphenyl)-3-phenyl-butanoic acid

Systemtic Name: 4-cyano-4-(2-methylphenyl)-3-phenyl-butanoic acid Openeye Name: 4-cyano-4-(o-tolyl)-3-phenyl-butanoic acid CAS Name: 4-cyano-4-(2-methylphenyl)-3-phenylbutanoic acid IUPAC Name: 4-cyano-4-(2-methylphenyl)-3-phenylbutanoic acid Traditional Name: 4-cyano-4-(o-tolyl)-3-phenyl-butyric acid Formula: C18H17NO2 MolecularWeight: 279.33308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C#N)C(CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC=C1C(C#N)C(CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C18H17NO2/c1-13-7-5-6-10-15(13)17(12-19)16(11-18(20)21)14-8-3-2-4-9-14/h2-10,16-17H,11H2,1H3,(H,20,21)