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

Systemtic Name: 2-[2,6-bis[(2-ethylphenyl)carbamoyl]-3-methyl-3-oxidanyl-5-oxidanylidene-cyclohexyl]benzoic acid Openeye Name: 2-[2,6-bis[(2-ethylphenyl)carbamoyl]-3-hydroxy-3-methyl-5-oxo-cyclohexyl]benzoic acid CAS Name: 2-[2,6-bis[(2-ethylanilino)-oxomethyl]-3-hydroxy-3-methyl-5-oxocyclohexyl]benzoic acid IUPAC Name: 2-[2,6-bis[(2-ethylphenyl)carbamoyl]-3-hydroxy-3-methyl-5-oxocyclohexyl]benzoic acid Traditional Name: 2-[2,6-bis[(2-ethylphenyl)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:

CCC1=CC=CC=C1NC(=O)C2C(C(C(CC2=O)(C)O)C(=O)NC3=CC=CC=C3CC)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C2C(C(C(CC2=O)(C)O)C(=O)NC3=CC=CC=C3CC)C4=CC=CC=C4C(=O)O

InChI

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