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

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

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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)OC

Isomeric SMILES

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

InChI

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