3-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxylic acid

Systemtic Name: 3-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxylic acid Openeye Name: 3-[2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-1-methyl-indole-6-carboxylic acid CAS Name: 3-[2-hydroxy-1-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-1-methyl-6-indolecarboxylic acid IUPAC Name: 3-[2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-methylindole-6-carboxylic acid Traditional Name: 3-[2-hydroxy-2-keto-1-[4-(4-methoxyphenyl)piperazino]ethyl]-1-methyl-indole-6-carboxylic acid Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5/c1-24-14-19(18-8-3-15(22(27)28)13-20(18)24)21(23(29)30)26-11-9-25(10-12-26)16-4-6-17(31-2)7-5-16/h3-8,13-14,21H,9-12H2,1-2H3,(H,27,28)(H,29,30)