3-cyclohexyl-1-[2-oxidanylidene-2-(pyridin-2-ylmethylamino)ethyl]-2-(4-phenylmethoxyphenyl)indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-1-[2-oxidanylidene-2-(pyridin-2-ylmethylamino)ethyl]-2-(4-phenylmethoxyphenyl)indole-6-carboxylic acid Openeye Name: 2-(4-benzyloxyphenyl)-3-cyclohexyl-1-[2-oxo-2-(2-pyridylmethylamino)ethyl]indole-6-carboxylic acid CAS Name: 3-cyclohexyl-1-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-2-(4-phenylmethoxyphenyl)-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-2-(4-phenylmethoxyphenyl)indole-6-carboxylic acid Traditional Name: 2-(4-benzoxyphenyl)-3-cyclohexyl-1-[2-keto-2-(2-pyridylmethylamino)ethyl]indole-6-carboxylic acid Formula: C36H35N3O4 MolecularWeight: 573.6808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)NCC4=CC=CC=N4)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)NCC4=CC=CC=N4)C5=CC=C(C=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C36H35N3O4/c40-33(38-22-29-13-7-8-20-37-29)23-39-32-21-28(36(41)42)16-19-31(32)34(26-11-5-2-6-12-26)35(39)27-14-17-30(18-15-27)43-24-25-9-3-1-4-10-25/h1,3-4,7-10,13-21,26H,2,5-6,11-12,22-24H2,(H,38,40)(H,41,42)