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

Systemtic Name: 2-[[2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-5-oxidanyl-benzoic acid Openeye Name: 5-hydroxy-2-[(2-isopentyl-1,3-dioxo-isoindoline-5-carbonyl)amino]benzoic acid CAS Name: 5-hydroxy-2-[[[2-(3-methylbutyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-hydroxy-2-[[2-(3-methylbutyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid Traditional Name: 5-hydroxy-2-[(2-isoamyl-1,3-diketo-isoindoline-5-carbonyl)amino]benzoic acid Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)O)C(=O)O

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)O)C(=O)O

InChI

InChI=1S/C21H20N2O6/c1-11(2)7-8-23-19(26)14-5-3-12(9-15(14)20(23)27)18(25)22-17-6-4-13(24)10-16(17)21(28)29/h3-6,9-11,24H,7-8H2,1-2H3,(H,22,25)(H,28,29)