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

Systemtic Name: 3-[[2-cyclohexyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 3-[(2-cyclohexyl-1,3-dioxo-isoindoline-5-carbonyl)amino]benzoic acid CAS Name: 3-[[(2-cyclohexyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid Traditional Name: 3-[(2-cyclohexyl-1,3-diketo-isoindoline-5-carbonyl)amino]benzoic acid Formula: C22H20N2O5 MolecularWeight: 392.4046

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O5/c25-19(23-15-6-4-5-14(11-15)22(28)29)13-9-10-17-18(12-13)21(27)24(20(17)26)16-7-2-1-3-8-16/h4-6,9-12,16H,1-3,7-8H2,(H,23,25)(H,28,29)