4-[2,6-bis[(2,5-dimethylphenyl)carbamoyl]-3-methyl-3-oxidanyl-5-oxidanylidene-cyclohexyl]benzoic acid

Systemtic Name: 4-[2,6-bis[(2,5-dimethylphenyl)carbamoyl]-3-methyl-3-oxidanyl-5-oxidanylidene-cyclohexyl]benzoic acid Openeye Name: 4-[2,6-bis[(2,5-dimethylphenyl)carbamoyl]-3-hydroxy-3-methyl-5-oxo-cyclohexyl]benzoic acid CAS Name: 4-[2,6-bis[(2,5-dimethylanilino)-oxomethyl]-3-hydroxy-3-methyl-5-oxocyclohexyl]benzoic acid IUPAC Name: 4-[2,6-bis[(2,5-dimethylphenyl)carbamoyl]-3-hydroxy-3-methyl-5-oxocyclohexyl]benzoic acid Traditional Name: 4-[2,6-bis[(2,5-dimethylphenyl)carbamoyl]-3-hydroxy-5-keto-3-methyl-cyclohexyl]benzoic acid Formula: C32H34N2O6 MolecularWeight: 542.62216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2C(C(C(CC2=O)(C)O)C(=O)NC3=C(C=CC(=C3)C)C)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C2C(C(C(CC2=O)(C)O)C(=O)NC3=C(C=CC(=C3)C)C)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C32H34N2O6/c1-17-6-8-19(3)23(14-17)33-29(36)27-25(35)16-32(5,40)28(26(27)21-10-12-22(13-11-21)31(38)39)30(37)34-24-15-18(2)7-9-20(24)4/h6-15,26-28,40H,16H2,1-5H3,(H,33,36)(H,34,37)(H,38,39)