3-[(4-methylcyclohexyl)carbonyl-(4-oxidanylcyclohexyl)amino]-5-(4-phenoxycyclohexen-1-yl)thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-(4-oxidanylcyclohexyl)amino]-5-(4-phenoxycyclohexen-1-yl)thiophene-2-carboxylic acid Openeye Name: 3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-(4-phenoxycyclohexen-1-yl)thiophene-2-carboxylic acid CAS Name: 3-[(4-hydroxycyclohexyl)-[(4-methylcyclohexyl)-oxomethyl]amino]-5-(4-phenoxy-1-cyclohexenyl)-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-(4-phenoxycyclohexen-1-yl)thiophene-2-carboxylic acid Traditional Name: 3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-5-(4-phenoxycyclohexen-1-yl)-2-thenoic acid Formula: C31H39NO5S MolecularWeight: 537.71006

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCC(CC2)O)C3=C(SC(=C3)C4=CCC(CC4)OC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCC(CC2)O)C3=C(SC(=C3)C4=CCC(CC4)OC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C31H39NO5S/c1-20-7-9-22(10-8-20)30(34)32(23-13-15-24(33)16-14-23)27-19-28(38-29(27)31(35)36)21-11-17-26(18-12-21)37-25-5-3-2-4-6-25/h2-6,11,19-20,22-24,26,33H,7-10,12-18H2,1H3,(H,35,36)