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

Systemtic Name: 4-[2,6-bis[(2-ethoxyphenyl)carbamoyl]-3-methyl-3-oxidanyl-5-oxidanylidene-cyclohexyl]benzoic acid Openeye Name: 4-[2,6-bis[(2-ethoxyphenyl)carbamoyl]-3-hydroxy-3-methyl-5-oxo-cyclohexyl]benzoic acid CAS Name: 4-[2,6-bis[(2-ethoxyanilino)-oxomethyl]-3-hydroxy-3-methyl-5-oxocyclohexyl]benzoic acid IUPAC Name: 4-[2,6-bis[(2-ethoxyphenyl)carbamoyl]-3-hydroxy-3-methyl-5-oxocyclohexyl]benzoic acid Traditional Name: 4-[3-hydroxy-5-keto-3-methyl-2,6-bis(o-phenetylcarbamoyl)cyclohexyl]benzoic acid Formula: C32H34N2O8 MolecularWeight: 574.62096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2C(C(C(CC2=O)(C)O)C(=O)NC3=CC=CC=C3OCC)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2C(C(C(CC2=O)(C)O)C(=O)NC3=CC=CC=C3OCC)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C32H34N2O8/c1-4-41-24-12-8-6-10-21(24)33-29(36)27-23(35)18-32(3,40)28(26(27)19-14-16-20(17-15-19)31(38)39)30(37)34-22-11-7-9-13-25(22)42-5-2/h6-17,26-28,40H,4-5,18H2,1-3H3,(H,33,36)(H,34,37)(H,38,39)