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

Systemtic Name: 5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexyl)carbonyl-(1-methylpiperidin-4-yl)amino]thiophene-2-carboxylic acid Openeye Name: 5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-(1-methyl-4-piperidyl)amino]thiophene-2-carboxylic acid CAS Name: 5-(3,3-dimethylbut-1-ynyl)-3-[[(4-methylcyclohexyl)-oxomethyl]-(1-methyl-4-piperidinyl)amino]-2-thiophenecarboxylic acid IUPAC Name: 5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-(1-methylpiperidin-4-yl)amino]thiophene-2-carboxylic acid Traditional Name: 5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-(1-methyl-4-piperidyl)amino]-2-thenoic acid Formula: C25H36N2O3S MolecularWeight: 444.62994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O3S/c1-17-6-8-18(9-7-17)23(28)27(19-11-14-26(5)15-12-19)21-16-20(10-13-25(2,3)4)31-22(21)24(29)30/h16-19H,6-9,11-12,14-15H2,1-5H3,(H,29,30)