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

Systemtic Name: 5-bromanyl-2-[[2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[(2-isopentyl-1,3-dioxo-isoindoline-5-carbonyl)amino]benzoic acid CAS Name: 5-bromo-2-[[[2-(3-methylbutyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[2-(3-methylbutyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid Traditional Name: 5-bromo-2-[(2-isoamyl-1,3-diketo-isoindoline-5-carbonyl)amino]benzoic acid Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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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)Br)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)Br)C(=O)O

InChI

InChI=1S/C21H19BrN2O5/c1-11(2)7-8-24-19(26)14-5-3-12(9-15(14)20(24)27)18(25)23-17-6-4-13(22)10-16(17)21(28)29/h3-6,9-11H,7-8H2,1-2H3,(H,23,25)(H,28,29)