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

Systemtic Name: 5-(3-fluorophenyl)-3-[(4-methylcyclohexyl)carbonyl-(1-methylpiperidin-4-yl)amino]thiophene-2-carboxylic acid Openeye Name: 5-(3-fluorophenyl)-3-[(4-methylcyclohexanecarbonyl)-(1-methyl-4-piperidyl)amino]thiophene-2-carboxylic acid CAS Name: 5-(3-fluorophenyl)-3-[[(4-methylcyclohexyl)-oxomethyl]-(1-methyl-4-piperidinyl)amino]-2-thiophenecarboxylic acid IUPAC Name: 5-(3-fluorophenyl)-3-[(4-methylcyclohexanecarbonyl)-(1-methylpiperidin-4-yl)amino]thiophene-2-carboxylic acid Traditional Name: 5-(3-fluorophenyl)-3-[(4-methylcyclohexanecarbonyl)-(1-methyl-4-piperidyl)amino]-2-thenoic acid Formula: C25H31FN2O3S MolecularWeight: 458.588643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31FN2O3S/c1-16-6-8-17(9-7-16)24(29)28(20-10-12-27(2)13-11-20)21-15-22(32-23(21)25(30)31)18-4-3-5-19(26)14-18/h3-5,14-17,20H,6-13H2,1-2H3,(H,30,31)