1-methyl-3-[2-oxidanyl-2-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]indole-5-carboxylic acid

Systemtic Name: 1-methyl-3-[2-oxidanyl-2-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]indole-5-carboxylic acid Openeye Name: 3-[2-hydroxy-2-oxo-1-[4-(2-pyridyl)piperazin-1-yl]ethyl]-1-methyl-indole-5-carboxylic acid CAS Name: 3-[2-hydroxy-2-oxo-1-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-1-methyl-5-indolecarboxylic acid IUPAC Name: 3-[2-hydroxy-2-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-methylindole-5-carboxylic acid Traditional Name: 3-[2-hydroxy-2-keto-1-[4-(2-pyridyl)piperazino]ethyl]-1-methyl-indole-5-carboxylic acid Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)C4=CC=CC=N4

InChI

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