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

Systemtic Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-1,3-dihydroisoindol-1-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)isoindolin-1-yl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-(1,3-benzodioxol-5-ylmethyl)-1,3-dihydroisoindol-1-yl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-1,3-dihydroisoindol-1-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[(2-piperonylisoindolin-1-yl)carbamoyl]cyclohexanecarboxylic acid Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)NC2C3=CC=CC=C3CN2CC4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

C1CC(CCC1C(=O)NC2C3=CC=CC=C3CN2CC4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C24H26N2O5/c27-23(16-6-8-17(9-7-16)24(28)29)25-22-19-4-2-1-3-18(19)13-26(22)12-15-5-10-20-21(11-15)31-14-30-20/h1-5,10-11,16-17,22H,6-9,12-14H2,(H,25,27)(H,28,29)