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

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-(1-methylpiperidin-4-yl)amino]-5-(4-methylphenyl)thiophene-2-carboxylic acid Openeye Name: 3-[(4-methylcyclohexanecarbonyl)-(1-methyl-4-piperidyl)amino]-5-(p-tolyl)thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-(1-methyl-4-piperidinyl)amino]-5-(4-methylphenyl)-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-(1-methylpiperidin-4-yl)amino]-5-(4-methylphenyl)thiophene-2-carboxylic acid Traditional Name: 3-[(4-methylcyclohexanecarbonyl)-(1-methyl-4-piperidyl)amino]-5-(p-tolyl)-2-thenoic acid Formula: C26H34N2O3S MolecularWeight: 454.62476

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCN(CC2)C)C3=C(SC(=C3)C4=CC=C(C=C4)C)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCN(CC2)C)C3=C(SC(=C3)C4=CC=C(C=C4)C)C(=O)O

InChI

InChI=1S/C26H34N2O3S/c1-17-4-8-19(9-5-17)23-16-22(24(32-23)26(30)31)28(21-12-14-27(3)15-13-21)25(29)20-10-6-18(2)7-11-20/h4-5,8-9,16,18,20-21H,6-7,10-15H2,1-3H3,(H,30,31)