[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-phenylbutanoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-phenylbutanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

InChI

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