3-cyclohexyl-1-(4H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-1-(4H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)indole-6-carboxylic acid Openeye Name: 2-(4-benzyloxyphenyl)-3-cyclohexyl-1-(4H-imidazol-2-ylmethyl)indole-6-carboxylic acid CAS Name: 3-cyclohexyl-1-(4H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-1-(4H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)indole-6-carboxylic acid Traditional Name: 2-(4-benzoxyphenyl)-3-cyclohexyl-1-(4H-imidazol-2-ylmethyl)indole-6-carboxylic acid Formula: C32H31N3O3 MolecularWeight: 505.60684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC4=NCC=N4)C5=CC=C(C=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC4=NCC=N4)C5=CC=C(C=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C32H31N3O3/c36-32(37)25-13-16-27-28(19-25)35(20-29-33-17-18-34-29)31(30(27)23-9-5-2-6-10-23)24-11-14-26(15-12-24)38-21-22-7-3-1-4-8-22/h1,3-4,7-8,11-17,19,23H,2,5-6,9-10,18,20-21H2,(H,36,37)