[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C22H24N2O7 MolecularWeight: 428.43516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O7/c1-14(2)20(24-22(27)29-11-15-6-4-3-5-7-15)21(26)28-12-19(25)23-16-8-9-17-18(10-16)31-13-30-17/h3-10,14,20H,11-13H2,1-2H3,(H,23,25)(H,24,27)