[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-(2-methylpropoxy)benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-(2-methylpropoxy)benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 3-isobutoxybenzoate CAS Name: 3-(2-methylpropoxy)benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(2-methylpropoxy)benzoate Traditional Name: 3-isobutoxybenzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H21NO6/c1-13(2)10-24-16-5-3-4-14(8-16)20(23)25-11-19(22)21-15-6-7-17-18(9-15)27-12-26-17/h3-9,13H,10-12H2,1-2H3,(H,21,22)