2-[[2-(2,3,4-trimethoxyphenyl)-1,3-dihydroisoindol-5-yl]amino]benzoic acid

Systemtic Name: 2-[[2-(2,3,4-trimethoxyphenyl)-1,3-dihydroisoindol-5-yl]amino]benzoic acid Openeye Name: 2-[[2-(2,3,4-trimethoxyphenyl)isoindolin-5-yl]amino]benzoic acid CAS Name: 2-[[2-(2,3,4-trimethoxyphenyl)-1,3-dihydroisoindol-5-yl]amino]benzoic acid IUPAC Name: 2-[[2-(2,3,4-trimethoxyphenyl)-1,3-dihydroisoindol-5-yl]amino]benzoic acid Traditional Name: 2-[[2-(2,3,4-trimethoxyphenyl)isoindolin-5-yl]amino]benzoic acid Formula: C24H24N2O5 MolecularWeight: 420.45776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)N2CC3=C(C2)C=C(C=C3)NC4=CC=CC=C4C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)N2CC3=C(C2)C=C(C=C3)NC4=CC=CC=C4C(=O)O)OC)OC

InChI

InChI=1S/C24H24N2O5/c1-29-21-11-10-20(22(30-2)23(21)31-3)26-13-15-8-9-17(12-16(15)14-26)25-19-7-5-4-6-18(19)24(27)28/h4-12,25H,13-14H2,1-3H3,(H,27,28)