4-[[2-(1,3-benzodioxol-5-ylmethyl)-7-bromanyl-3-oxidanylidene-1H-isoindol-4-yl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-7-bromanyl-3-oxidanylidene-1H-isoindol-4-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-7-bromo-3-oxo-isoindolin-4-yl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-(1,3-benzodioxol-5-ylmethyl)-7-bromo-3-oxo-1H-isoindol-4-yl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-7-bromo-3-oxo-1H-isoindol-4-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[(7-bromo-3-keto-2-piperonyl-isoindolin-4-yl)carbamoyl]cyclohexanecarboxylic acid Formula: C24H23BrN2O6 MolecularWeight: 515.35322

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)NC2=C3C(=C(C=C2)Br)CN(C3=O)CC4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

C1CC(CCC1C(=O)NC2=C3C(=C(C=C2)Br)CN(C3=O)CC4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C24H23BrN2O6/c25-17-6-7-18(26-22(28)14-2-4-15(5-3-14)24(30)31)21-16(17)11-27(23(21)29)10-13-1-8-19-20(9-13)33-12-32-19/h1,6-9,14-15H,2-5,10-12H2,(H,26,28)(H,30,31)