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

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-piperidin-4-yl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-methylcyclohexanecarbonyl)-(4-piperidyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-(4-piperidinyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-piperidin-4-ylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(4-methylcyclohexanecarbonyl)-(4-piperidyl)amino]-5-phenyl-2-thenoic acid Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCNCC2)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCNCC2)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H30N2O3S/c1-16-7-9-18(10-8-16)23(27)26(19-11-13-25-14-12-19)20-15-21(30-22(20)24(28)29)17-5-3-2-4-6-17/h2-6,15-16,18-19,25H,7-14H2,1H3,(H,28,29)