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

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-(1-propan-2-ylpiperidin-4-yl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(1-isopropyl-4-piperidyl)-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-(1-propan-2-yl-4-piperidinyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-(1-propan-2-ylpiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(1-isopropyl-4-piperidyl)-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-2-thenoic acid Formula: C27H36N2O3S MolecularWeight: 468.65134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O3S/c1-18(2)28-15-13-22(14-16-28)29(26(30)21-11-9-19(3)10-12-21)23-17-24(33-25(23)27(31)32)20-7-5-4-6-8-20/h4-8,17-19,21-22H,9-16H2,1-3H3,(H,31,32)