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

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-acetamido-3-phenyl-propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 3-acetamido-3-phenyl-propanoate CAS Name: 3-acetamido-3-phenylpropanoic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 3-acetamido-3-phenylpropanoate Traditional Name: 3-acetamido-3-phenyl-propionic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-13(21(26)23-16-8-9-18-19(10-16)28-12-27-18)29-20(25)11-17(22-14(2)24)15-6-4-3-5-7-15/h3-10,13,17H,11-12H2,1-2H3,(H,22,24)(H,23,26)