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

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-(1-methyl-4-piperidyl)thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-5-(1-methyl-4-piperidinyl)-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-(1-methylpiperidin-4-yl)thiophene-2-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-(1-methyl-4-piperidyl)-2-thenoic acid Formula: C22H34N2O3S MolecularWeight: 406.58196

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3CCN(CC3)C)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3CCN(CC3)C)C(=O)O)C(C)C

InChI

InChI=1S/C22H34N2O3S/c1-14(2)24(21(25)17-7-5-15(3)6-8-17)18-13-19(28-20(18)22(26)27)16-9-11-23(4)12-10-16/h13-17H,5-12H2,1-4H3,(H,26,27)