3-cyclohexyl-1-[2-[4-(6-methoxypyridin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-phenyl-indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-1-[2-[4-(6-methoxypyridin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-phenyl-indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-1-[2-[4-(6-methoxy-2-pyridyl)piperazin-1-yl]-2-oxo-ethyl]-2-phenyl-indole-6-carboxylic acid CAS Name: 3-cyclohexyl-1-[2-[4-(6-methoxy-2-pyridinyl)-1-piperazinyl]-2-oxoethyl]-2-phenyl-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-1-[2-[4-(6-methoxypyridin-2-yl)piperazin-1-yl]-2-oxoethyl]-2-phenylindole-6-carboxylic acid Traditional Name: 3-cyclohexyl-1-[2-keto-2-[4-(6-methoxy-2-pyridyl)piperazino]ethyl]-2-phenyl-indole-6-carboxylic acid Formula: C33H36N4O4 MolecularWeight: 552.66334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=N1)N2CCN(CC2)C(=O)CN3C4=C(C=CC(=C4)C(=O)O)C(=C3C5=CC=CC=C5)C6CCCCC6

Isomeric SMILES

COC1=CC=CC(=N1)N2CCN(CC2)C(=O)CN3C4=C(C=CC(=C4)C(=O)O)C(=C3C5=CC=CC=C5)C6CCCCC6

InChI

InChI=1S/C33H36N4O4/c1-41-29-14-8-13-28(34-29)35-17-19-36(20-18-35)30(38)22-37-27-21-25(33(39)40)15-16-26(27)31(23-9-4-2-5-10-23)32(37)24-11-6-3-7-12-24/h3,6-8,11-16,21,23H,2,4-5,9-10,17-20,22H2,1H3,(H,39,40)