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

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-(1-phenylmethoxycarbonylpiperidin-3-yl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(1-benzyloxycarbonyl-3-piperidyl)-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-(1-phenylmethoxycarbonyl-3-piperidinyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-(1-phenylmethoxycarbonylpiperidin-3-yl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(1-carbobenzoxy-3-piperidyl)-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-2-thenoic acid Formula: C32H36N2O5S MolecularWeight: 560.70364

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCCN(C2)C(=O)OCC3=CC=CC=C3)C4=C(SC(=C4)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCCN(C2)C(=O)OCC3=CC=CC=C3)C4=C(SC(=C4)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C32H36N2O5S/c1-22-14-16-25(17-15-22)30(35)34(27-19-28(40-29(27)31(36)37)24-11-6-3-7-12-24)26-13-8-18-33(20-26)32(38)39-21-23-9-4-2-5-10-23/h2-7,9-12,19,22,25-26H,8,13-18,20-21H2,1H3,(H,36,37)