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

Systemtic Name: 3-[(1-ethylpiperidin-4-yl)-(4-methylcyclohexyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(1-ethyl-4-piperidyl)-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(1-ethyl-4-piperidinyl)-[(4-methylcyclohexyl)-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(1-ethylpiperidin-4-yl)-(4-methylcyclohexanecarbonyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(1-ethyl-4-piperidyl)-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-2-thenoic acid Formula: C26H34N2O3S MolecularWeight: 454.62476

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4CCC(CC4)C

Isomeric SMILES

CCN1CCC(CC1)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4CCC(CC4)C

InChI

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