4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-1H-isoindol-1-yl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-1H-isoindol-1-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-isoindolin-1-yl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1H-isoindol-1-yl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1H-isoindol-1-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[(3-keto-2-piperonyl-isoindolin-1-yl)carbamoyl]cyclohexanecarboxylic acid Formula: C24H24N2O6 MolecularWeight: 436.45716

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

C1CC(CCC1C(=O)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C24H24N2O6/c27-22(15-6-8-16(9-7-15)24(29)30)25-21-17-3-1-2-4-18(17)23(28)26(21)12-14-5-10-19-20(11-14)32-13-31-19/h1-5,10-11,15-16,21H,6-9,12-13H2,(H,25,27)(H,29,30)