3-[5-bromanyl-3-[2-oxidanyl-2-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]indol-1-yl]propanoic acid

Systemtic Name: 3-[5-bromanyl-3-[2-oxidanyl-2-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]indol-1-yl]propanoic acid Openeye Name: 3-[5-bromo-3-[2-hydroxy-2-oxo-1-[4-(2-pyridyl)piperazin-1-yl]ethyl]indol-1-yl]propanoic acid CAS Name: 3-[5-bromo-3-[2-hydroxy-2-oxo-1-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-1-indolyl]propanoic acid IUPAC Name: 3-[5-bromo-3-[2-hydroxy-2-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]indol-1-yl]propanoic acid Traditional Name: 3-[5-bromo-3-[2-hydroxy-2-keto-1-[4-(2-pyridyl)piperazino]ethyl]indol-1-yl]propionic acid Formula: C22H23BrN4O4 MolecularWeight: 487.34642

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(C3=CN(C4=C3C=C(C=C4)Br)CCC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(C3=CN(C4=C3C=C(C=C4)Br)CCC(=O)O)C(=O)O

InChI

InChI=1S/C22H23BrN4O4/c23-15-4-5-18-16(13-15)17(14-27(18)8-6-20(28)29)21(22(30)31)26-11-9-25(10-12-26)19-3-1-2-7-24-19/h1-5,7,13-14,21H,6,8-12H2,(H,28,29)(H,30,31)