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

Systemtic Name: 1-methyl-3-[2-oxidanyl-2-oxidanylidene-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]indole-5-carboxylic acid Openeye Name: 3-[2-hydroxy-2-oxo-1-[4-(4-pyridylmethyl)piperazin-1-yl]ethyl]-1-methyl-indole-5-carboxylic acid CAS Name: 3-[2-hydroxy-2-oxo-1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]ethyl]-1-methyl-5-indolecarboxylic acid IUPAC Name: 3-[2-hydroxy-2-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-1-methylindole-5-carboxylic acid Traditional Name: 3-[2-hydroxy-2-keto-1-[4-(4-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=NC=C4

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)CC4=CC=NC=C4

InChI

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