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

Systemtic Name: 1-methyl-3-[2-oxidanyl-2-oxidanylidene-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethyl]indole-2-carboxylic acid Openeye Name: 3-[2-hydroxy-2-oxo-1-[4-[2-(4-pyridyl)ethyl]piperazin-1-yl]ethyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[2-hydroxy-2-oxo-1-[4-(2-pyridin-4-ylethyl)-1-piperazinyl]ethyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[2-hydroxy-2-oxo-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[2-hydroxy-2-keto-1-[4-[2-(4-pyridyl)ethyl]piperazino]ethyl]-1-methyl-indole-2-carboxylic acid Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N3CCN(CC3)CCC4=CC=NC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N3CCN(CC3)CCC4=CC=NC=C4

InChI

InChI=1S/C23H26N4O4/c1-25-18-5-3-2-4-17(18)19(20(25)22(28)29)21(23(30)31)27-14-12-26(13-15-27)11-8-16-6-9-24-10-7-16/h2-7,9-10,21H,8,11-15H2,1H3,(H,28,29)(H,30,31)