3-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]benzoic acid

Systemtic Name: 3-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]benzoic acid Openeye Name: 3-[6-(1,3-dioxoisoindolin-2-yl)hexanoylamino]benzoic acid CAS Name: 3-[[6-(1,3-dioxo-2-isoindolyl)-1-oxohexyl]amino]benzoic acid IUPAC Name: 3-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]benzoic acid Traditional Name: 3-(6-phthalimidohexanoylamino)benzoic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H20N2O5/c24-18(22-15-8-6-7-14(13-15)21(27)28)11-2-1-5-12-23-19(25)16-9-3-4-10-17(16)20(23)26/h3-4,6-10,13H,1-2,5,11-12H2,(H,22,24)(H,27,28)