4-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 4-[(2-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]benzoic acid CAS Name: 4-[[(2-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid Traditional Name: 4-[(2-butyl-1,3-diketo-isoindoline-5-carbonyl)amino]benzoic acid Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H18N2O5/c1-2-3-10-22-18(24)15-9-6-13(11-16(15)19(22)25)17(23)21-14-7-4-12(5-8-14)20(26)27/h4-9,11H,2-3,10H2,1H3,(H,21,23)(H,26,27)