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

Systemtic Name: 4-chloranyl-2-[[2-cyclohexyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 4-chloro-2-[(2-cyclohexyl-1,3-dioxo-isoindoline-5-carbonyl)amino]benzoic acid CAS Name: 4-chloro-2-[[(2-cyclohexyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid Traditional Name: 4-chloro-2-[(2-cyclohexyl-1,3-diketo-isoindoline-5-carbonyl)amino]benzoic acid Formula: C22H19ClN2O5 MolecularWeight: 426.84966

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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=C(C=CC(=C4)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN2O5/c23-13-7-9-16(22(29)30)18(11-13)24-19(26)12-6-8-15-17(10-12)21(28)25(20(15)27)14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,24,26)(H,29,30)