[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C(C)OC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)OC(=O)[C@H](C)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H20N2O4/c1-14(19(23)22-13-17-6-4-3-5-7-17)26-20(24)15(2)25-18-10-8-16(12-21)9-11-18/h3-11,14-15H,13H2,1-2H3,(H,22,23)/t14-,15+/m1/s1