[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-phenoxypropanoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-phenoxypropanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] (2S)-2-phenoxypropanoate CAS Name: (2S)-2-phenoxypropanoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate Traditional Name: (2S)-2-phenoxypropionic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC=CC(=C1)C#N)OC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=CC=CC(=C1)C#N)OC2=CC=CC=C2

InChI

InChI=1S/C18H16N2O4/c1-13(24-16-8-3-2-4-9-16)18(22)23-12-17(21)20-15-7-5-6-14(10-15)11-19/h2-10,13H,12H2,1H3,(H,20,21)/t13-/m0/s1