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

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-(3-oxidanylcyclohexyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(3-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(3-hydroxycyclohexyl)-[(4-methylcyclohexyl)-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(3-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(3-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-2-thenoic acid Formula: C25H31NO4S MolecularWeight: 441.58294

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCCC(C2)O)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCCC(C2)O)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H31NO4S/c1-16-10-12-18(13-11-16)24(28)26(19-8-5-9-20(27)14-19)21-15-22(31-23(21)25(29)30)17-6-3-2-4-7-17/h2-4,6-7,15-16,18-20,27H,5,8-14H2,1H3,(H,29,30)