[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] (2S)-2-hydroxy-2-phenyl-acetate CAS Name: (2S)-2-hydroxy-2-phenylacetic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate Traditional Name: (2S)-2-hydroxy-2-phenyl-acetic acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O4/c1-12(17(22)20-15-9-7-13(11-19)8-10-15)24-18(23)16(21)14-5-3-2-4-6-14/h2-10,12,16,21H,1H3,(H,20,22)/t12-,16+/m1/s1