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

Systemtic Name: 1-methyl-3-[2-oxidanyl-2-oxidanylidene-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]indole-5-carboxylic acid Openeye Name: 3-[2-hydroxy-2-oxo-1-[4-(2-pyridylmethyl)piperazin-1-yl]ethyl]-1-methyl-indole-5-carboxylic acid CAS Name: 3-[2-hydroxy-2-oxo-1-[4-(2-pyridinylmethyl)-1-piperazinyl]ethyl]-1-methyl-5-indolecarboxylic acid IUPAC Name: 3-[2-hydroxy-2-oxo-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]-1-methylindole-5-carboxylic acid Traditional Name: 3-[2-hydroxy-2-keto-1-[4-(2-pyridylmethyl)piperazino]ethyl]-1-methyl-indole-5-carboxylic acid Formula: C22H24N4O4 MolecularWeight: 408.45036

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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)CC4=CC=CC=N4

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)CC4=CC=CC=N4

InChI

InChI=1S/C22H24N4O4/c1-24-14-18(17-12-15(21(27)28)5-6-19(17)24)20(22(29)30)26-10-8-25(9-11-26)13-16-4-2-3-7-23-16/h2-7,12,14,20H,8-11,13H2,1H3,(H,27,28)(H,29,30)