[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)NC1=CC2=C(C=C1)OCO2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CC(=O)OCC(=O)NC1=CC2=C(C=C1)OCO2)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O6/c1-13(23)21-16(14-5-3-2-4-6-14)10-20(25)26-11-19(24)22-15-7-8-17-18(9-15)28-12-27-17/h2-9,16H,10-12H2,1H3,(H,21,23)(H,22,24)/t16-/m1/s1