[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate CAS Name: 4,5-dimethoxy-2-[(2-methyl-1-oxopropyl)amino]benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Traditional Name: 2-(isobutyrylamino)-4,5-dimethoxy-benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C22H24N2O8 MolecularWeight: 444.43456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)OC)OC

Isomeric SMILES

CC(C)C(=O)NC1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)OC)OC

InChI

InChI=1S/C22H24N2O8/c1-12(2)21(26)24-15-9-18(29-4)17(28-3)8-14(15)22(27)30-10-20(25)23-13-5-6-16-19(7-13)32-11-31-16/h5-9,12H,10-11H2,1-4H3,(H,23,25)(H,24,26)