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

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(1-benzyloxycarbonyl-4-piperidyl)methyl-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-[(1-phenylmethoxycarbonyl-4-piperidinyl)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(1-carbobenzoxy-4-piperidyl)methyl-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-2-thenoic acid Formula: C33H38N2O5S MolecularWeight: 574.73022

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(CC2CCN(CC2)C(=O)OCC3=CC=CC=C3)C4=C(SC(=C4)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(CC2CCN(CC2)C(=O)OCC3=CC=CC=C3)C4=C(SC(=C4)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C33H38N2O5S/c1-23-12-14-27(15-13-23)31(36)35(28-20-29(41-30(28)32(37)38)26-10-6-3-7-11-26)21-24-16-18-34(19-17-24)33(39)40-22-25-8-4-2-5-9-25/h2-11,20,23-24,27H,12-19,21-22H2,1H3,(H,37,38)