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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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