[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl] ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC2=C(C=C1)OCCO2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C1=CC2=C(C=C1)OCCO2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O6/c1-13(21-20(25)22-15-5-3-2-4-6-15)19(24)28-12-16(23)14-7-8-17-18(11-14)27-10-9-26-17/h2-8,11,13H,9-10,12H2,1H3,(H2,21,22,25)/t13-/m0/s1