3-[(4-methylcyclohexyl)carbonyl-(4-methyl-4-oxidanyl-cyclohexyl)amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-(4-methyl-4-oxidanyl-cyclohexyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-hydroxy-4-methyl-cyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(4-hydroxy-4-methylcyclohexyl)-[(4-methylcyclohexyl)-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-hydroxy-4-methylcyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(4-hydroxy-4-methyl-cyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-2-thenoic acid Formula: C26H33NO4S MolecularWeight: 455.60952

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCC(CC2)(C)O)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCC(CC2)(C)O)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H33NO4S/c1-17-8-10-19(11-9-17)24(28)27(20-12-14-26(2,31)15-13-20)21-16-22(32-23(21)25(29)30)18-6-4-3-5-7-18/h3-7,16-17,19-20,31H,8-15H2,1-2H3,(H,29,30)