1-[(4-cyclohexylphenyl)methyl]-2-(1H-indol-3-yl)-4-phenyl-2-(thiophen-2-ylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-cyclohexylphenyl)methyl]-2-(1H-indol-3-yl)-4-phenyl-2-(thiophen-2-ylmethyl)piperidine-4-carboxylic acid Openeye Name: 1-[(4-cyclohexylphenyl)methyl]-2-(1H-indol-3-yl)-4-phenyl-2-(2-thienylmethyl)piperidine-4-carboxylic acid CAS Name: 1-[(4-cyclohexylphenyl)methyl]-2-(1H-indol-3-yl)-4-phenyl-2-(thiophen-2-ylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-cyclohexylphenyl)methyl]-2-(1H-indol-3-yl)-4-phenyl-2-(thiophen-2-ylmethyl)piperidine-4-carboxylic acid Traditional Name: 1-(4-cyclohexylbenzyl)-2-(1H-indol-3-yl)-4-phenyl-2-(2-thenyl)isonipecotic acid Formula: C38H40N2O2S MolecularWeight: 588.8014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)CN3CCC(CC3(CC4=CC=CS4)C5=CNC6=CC=CC=C65)(C7=CC=CC=C7)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)CN3CCC(CC3(CC4=CC=CS4)C5=CNC6=CC=CC=C65)(C7=CC=CC=C7)C(=O)O

InChI

InChI=1S/C38H40N2O2S/c41-36(42)37(31-12-5-2-6-13-31)21-22-40(26-28-17-19-30(20-18-28)29-10-3-1-4-11-29)38(27-37,24-32-14-9-23-43-32)34-25-39-35-16-8-7-15-33(34)35/h2,5-9,12-20,23,25,29,39H,1,3-4,10-11,21-22,24,26-27H2,(H,41,42)