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

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-[1-(phenylmethyl)piperidin-4-yl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(1-benzyl-4-piperidyl)-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-[1-(phenylmethyl)-4-piperidinyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(1-benzylpiperidin-4-yl)-(4-methylcyclohexanecarbonyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(1-benzyl-4-piperidyl)-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-2-thenoic acid Formula: C31H36N2O3S MolecularWeight: 516.69414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCN(CC2)CC3=CC=CC=C3)C4=C(SC(=C4)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCN(CC2)CC3=CC=CC=C3)C4=C(SC(=C4)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C31H36N2O3S/c1-22-12-14-25(15-13-22)30(34)33(26-16-18-32(19-17-26)21-23-8-4-2-5-9-23)27-20-28(37-29(27)31(35)36)24-10-6-3-7-11-24/h2-11,20,22,25-26H,12-19,21H2,1H3,(H,35,36)