[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C20H22N2O6 MolecularWeight: 386.39848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC(=C(C=C1)OC)OC)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C1=CC(=C(C=C1)OC)OC)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O6/c1-13(21-20(25)22-15-7-5-4-6-8-15)19(24)28-12-16(23)14-9-10-17(26-2)18(11-14)27-3/h4-11,13H,12H2,1-3H3,(H2,21,22,25)/t13-/m0/s1