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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4/c1-14(22-19(25)16-5-3-2-4-6-16)20(26)27-13-18(24)23-17-9-7-15(8-10-17)11-12-21/h2-10,14H,11,13H2,1H3,(H,22,25)(H,23,24)/t14-/m0/s1