4-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]benzoic acid

Systemtic Name: 4-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]benzoic acid Openeye Name: 4-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]benzoic acid CAS Name: 4-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]benzoic acid Traditional Name: 4-(4-phthalimidobutanoylamino)benzoic acid Formula: C19H16N2O5 MolecularWeight: 352.34074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O5/c22-16(20-13-9-7-12(8-10-13)19(25)26)6-3-11-21-17(23)14-4-1-2-5-15(14)18(21)24/h1-2,4-5,7-10H,3,6,11H2,(H,20,22)(H,25,26)