3-cyclohexyl-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-2-(4-phenylmethoxyphenyl)indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-2-(4-phenylmethoxyphenyl)indole-6-carboxylic acid Openeye Name: 2-(4-benzyloxyphenyl)-3-cyclohexyl-1-[2-oxo-2-(1-piperidyl)ethyl]indole-6-carboxylic acid CAS Name: 3-cyclohexyl-1-[2-oxo-2-(1-piperidinyl)ethyl]-2-(4-phenylmethoxyphenyl)-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-1-(2-oxo-2-piperidin-1-ylethyl)-2-(4-phenylmethoxyphenyl)indole-6-carboxylic acid Traditional Name: 2-(4-benzoxyphenyl)-3-cyclohexyl-1-(2-keto-2-piperidino-ethyl)indole-6-carboxylic acid Formula: C35H38N2O4 MolecularWeight: 550.68722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)N4CCCCC4)C5=CC=C(C=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)N4CCCCC4)C5=CC=C(C=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C35H38N2O4/c38-32(36-20-8-3-9-21-36)23-37-31-22-28(35(39)40)16-19-30(31)33(26-12-6-2-7-13-26)34(37)27-14-17-29(18-15-27)41-24-25-10-4-1-5-11-25/h1,4-5,10-11,14-19,22,26H,2-3,6-9,12-13,20-21,23-24H2,(H,39,40)