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

Systemtic Name: 3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylic acid Openeye Name: 3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxy-2-oxo-ethyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[1-[4-(4-fluorophenyl)-1-piperazinyl]-2-hydroxy-2-oxoethyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxy-2-oxoethyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[1-[4-(4-fluorophenyl)piperazino]-2-hydroxy-2-keto-ethyl]-1-methyl-indole-2-carboxylic acid Formula: C22H22FN3O4 MolecularWeight: 411.426183

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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=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN3O4/c1-24-17-5-3-2-4-16(17)18(19(24)21(27)28)20(22(29)30)26-12-10-25(11-13-26)15-8-6-14(23)7-9-15/h2-9,20H,10-13H2,1H3,(H,27,28)(H,29,30)