5-[[2-cyclohexyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[2-cyclohexyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(2-cyclohexyl-1,3-dioxo-isoindoline-5-carbonyl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[(2-cyclohexyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(2-cyclohexyl-1,3-diketo-isoindoline-5-carbonyl)amino]isophthalic acid Formula: C23H20N2O7 MolecularWeight: 436.4141

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC(=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC(=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C23H20N2O7/c26-19(24-15-9-13(22(29)30)8-14(10-15)23(31)32)12-6-7-17-18(11-12)21(28)25(20(17)27)16-4-2-1-3-5-16/h6-11,16H,1-5H2,(H,24,26)(H,29,30)(H,31,32)