1-methyl-3-[2-oxidanyl-2-oxidanylidene-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]indole-6-carboxylic acid

Systemtic Name: 1-methyl-3-[2-oxidanyl-2-oxidanylidene-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]indole-6-carboxylic acid Openeye Name: 3-[2-hydroxy-2-oxo-1-[4-(3-pyridylmethyl)piperazin-1-yl]ethyl]-1-methyl-indole-6-carboxylic acid CAS Name: 3-[2-hydroxy-2-oxo-1-[4-(3-pyridinylmethyl)-1-piperazinyl]ethyl]-1-methyl-6-indolecarboxylic acid IUPAC Name: 3-[2-hydroxy-2-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-1-methylindole-6-carboxylic acid Traditional Name: 3-[2-hydroxy-2-keto-1-[4-(3-pyridylmethyl)piperazino]ethyl]-1-methyl-indole-6-carboxylic acid Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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