[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 2-(2-methylpropanoylamino)benzoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 2-(2-methylpropanoylamino)benzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl] 2-(2-methylpropanoylamino)benzoate CAS Name: 2-[(2-methyl-1-oxopropyl)amino]benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(2-methylpropanoylamino)benzoate Traditional Name: 2-(isobutyrylamino)benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl] ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC=C1C(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC=C1C(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H21NO6/c1-13(2)20(24)22-16-6-4-3-5-15(16)21(25)28-12-17(23)14-7-8-18-19(11-14)27-10-9-26-18/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,24)