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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(C3=C(N(C4=CC=CC=C43)CC5=CC=CC=C5)C(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(C3=C(N(C4=CC=CC=C43)CC5=CC=CC=C5)C(=O)O)C(=O)O

InChI

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