[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2R)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2R)-3-methyl-2-(phenylcarbamoylamino)butyric acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=CC2=C(C=C1)OCO2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)C1=CC2=C(C=C1)OCO2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O6/c1-13(2)19(23-21(26)22-15-6-4-3-5-7-15)20(25)27-11-16(24)14-8-9-17-18(10-14)29-12-28-17/h3-10,13,19H,11-12H2,1-2H3,(H2,22,23,26)/t19-/m1/s1