[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C20H19NO6 MolecularWeight: 369.36796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C)C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C)C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H19NO6/c1-12-4-3-5-15(8-12)19(23)21-13(2)20(24)25-10-16(22)14-6-7-17-18(9-14)27-11-26-17/h3-9,13H,10-11H2,1-2H3,(H,21,23)/t13-/m0/s1