[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] (3R)-3-phenylbutanoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] (3R)-3-phenylbutanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] (3R)-3-phenylbutanoate Traditional Name: (3R)-3-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:

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

Isomeric SMILES

C[C@H](CC(=O)OCC(=O)NC1=CC=C(C=C1)CC#N)C2=CC=CC=C2

InChI

InChI=1S/C20H20N2O3/c1-15(17-5-3-2-4-6-17)13-20(24)25-14-19(23)22-18-9-7-16(8-10-18)11-12-21/h2-10,15H,11,13-14H2,1H3,(H,22,23)/t15-/m1/s1