[1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylbutanoate

Systemtic Name: [1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylbutanoate Openeye Name: [2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-phenylbutanoate CAS Name: 3-phenylbutanoic acid [1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-phenylbutanoate Traditional Name: 3-phenylbutyric acid [2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC(C)C(=O)NC1=CC=C(C=C1)C#N)C2=CC=CC=C2

Isomeric SMILES

CC(CC(=O)OC(C)C(=O)NC1=CC=C(C=C1)C#N)C2=CC=CC=C2

InChI

InChI=1S/C20H20N2O3/c1-14(17-6-4-3-5-7-17)12-19(23)25-15(2)20(24)22-18-10-8-16(13-21)9-11-18/h3-11,14-15H,12H2,1-2H3,(H,22,24)