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

Systemtic Name: 1-methyl-3-[2-oxidanyl-2-oxidanylidene-1-(4-phenylpiperazin-1-yl)ethyl]indole-5-carboxylic acid Openeye Name: 3-[2-hydroxy-2-oxo-1-(4-phenylpiperazin-1-yl)ethyl]-1-methyl-indole-5-carboxylic acid CAS Name: 3-[2-hydroxy-2-oxo-1-(4-phenyl-1-piperazinyl)ethyl]-1-methyl-5-indolecarboxylic acid IUPAC Name: 3-[2-hydroxy-2-oxo-1-(4-phenylpiperazin-1-yl)ethyl]-1-methylindole-5-carboxylic acid Traditional Name: 3-[2-hydroxy-2-keto-1-(4-phenylpiperazino)ethyl]-1-methyl-indole-5-carboxylic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c1-23-14-18(17-13-15(21(26)27)7-8-19(17)23)20(22(28)29)25-11-9-24(10-12-25)16-5-3-2-4-6-16/h2-8,13-14,20H,9-12H2,1H3,(H,26,27)(H,28,29)