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

Systemtic Name: 2-methyl-3-[[2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 3-[(2-isopentyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-2-methyl-benzoic acid CAS Name: 2-methyl-3-[[[2-(3-methylbutyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-methyl-3-[[2-(3-methylbutyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid Traditional Name: 3-[(2-isoamyl-1,3-diketo-isoindoline-5-carbonyl)amino]-2-methyl-benzoic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC(C)C)C(=O)O

InChI

InChI=1S/C22H22N2O5/c1-12(2)9-10-24-20(26)16-8-7-14(11-17(16)21(24)27)19(25)23-18-6-4-5-15(13(18)3)22(28)29/h4-8,11-12H,9-10H2,1-3H3,(H,23,25)(H,28,29)