3-[2-oxidanyl-2-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-(phenylmethyl)indole-6-carboxylic acid

Systemtic Name: 3-[2-oxidanyl-2-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-(phenylmethyl)indole-6-carboxylic acid Openeye Name: 1-benzyl-3-[2-hydroxy-2-oxo-1-[4-(2-pyridyl)piperazin-1-yl]ethyl]indole-6-carboxylic acid CAS Name: 3-[2-hydroxy-2-oxo-1-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-1-(phenylmethyl)-6-indolecarboxylic acid IUPAC Name: 1-benzyl-3-[2-hydroxy-2-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]indole-6-carboxylic acid Traditional Name: 1-benzyl-3-[2-hydroxy-2-keto-1-[4-(2-pyridyl)piperazino]ethyl]indole-6-carboxylic acid Formula: C27H26N4O4 MolecularWeight: 470.51974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(C3=CN(C4=C3C=CC(=C4)C(=O)O)CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(C3=CN(C4=C3C=CC(=C4)C(=O)O)CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H26N4O4/c32-26(33)20-9-10-21-22(18-31(23(21)16-20)17-19-6-2-1-3-7-19)25(27(34)35)30-14-12-29(13-15-30)24-8-4-5-11-28-24/h1-11,16,18,25H,12-15,17H2,(H,32,33)(H,34,35)