4-[[5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3-dihydroisoindol-2-yl]methyl]benzoic acid

Systemtic Name: 4-[[5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3-dihydroisoindol-2-yl]methyl]benzoic acid Openeye Name: 4-[[5-(1,3-benzodioxol-5-ylmethylcarbamoyl)isoindolin-2-yl]methyl]benzoic acid CAS Name: 4-[[5-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-1,3-dihydroisoindol-2-yl]methyl]benzoic acid IUPAC Name: 4-[[5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3-dihydroisoindol-2-yl]methyl]benzoic acid Traditional Name: 4-[[5-(piperonylcarbamoyl)isoindolin-2-yl]methyl]benzoic acid Formula: C25H22N2O5 MolecularWeight: 430.45258

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN1CC3=CC=C(C=C3)C(=O)O)C=C(C=C2)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2=C(CN1CC3=CC=C(C=C3)C(=O)O)C=C(C=C2)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22N2O5/c28-24(26-11-17-3-8-22-23(9-17)32-15-31-22)19-6-7-20-13-27(14-21(20)10-19)12-16-1-4-18(5-2-16)25(29)30/h1-10H,11-15H2,(H,26,28)(H,29,30)