[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C(C)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)OC(=O)[C@H](C)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H20N2O4/c1-13-5-4-6-17(11-13)22-19(23)14(2)26-20(24)15(3)25-18-9-7-16(12-21)8-10-18/h4-11,14-15H,1-3H3,(H,22,23)/t14-,15-/m0/s1