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

Systemtic Name: 1-methyl-3-[2-oxidanyl-2-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]indole-2-carboxylic acid Openeye Name: 3-[2-hydroxy-2-oxo-1-[4-(2-pyridyl)piperazin-1-yl]ethyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[2-hydroxy-2-oxo-1-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[2-hydroxy-2-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[2-hydroxy-2-keto-1-[4-(2-pyridyl)piperazino]ethyl]-1-methyl-indole-2-carboxylic acid Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H22N4O4/c1-23-15-7-3-2-6-14(15)17(18(23)20(26)27)19(21(28)29)25-12-10-24(11-13-25)16-8-4-5-9-22-16/h2-9,19H,10-13H2,1H3,(H,26,27)(H,28,29)