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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N3CCN(CC3)CC4=CN=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N3CCN(CC3)CC4=CN=CC=C4

InChI

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