(3,3-dimethyl-2-oxidanylidene-butyl) 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]benzoate CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]benzoate Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H25NO6 MolecularWeight: 411.4477

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NC(=O)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NC(=O)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H25NO6/c1-23(2,3)20(25)13-28-22(27)16-6-4-5-7-17(16)24-21(26)11-9-15-8-10-18-19(12-15)30-14-29-18/h4-8,10,12H,9,11,13-14H2,1-3H3,(H,24,26)