3-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxylic acid

Systemtic Name: 3-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxylic acid Openeye Name: 3-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-hydroxy-2-oxo-ethyl]-1-methyl-indole-6-carboxylic acid CAS Name: 3-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-hydroxy-2-oxoethyl]-1-methyl-6-indolecarboxylic acid IUPAC Name: 3-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-hydroxy-2-oxoethyl]-1-methylindole-6-carboxylic acid Traditional Name: 3-[2-hydroxy-2-keto-1-(4-piperonylpiperazino)ethyl]-1-methyl-indole-6-carboxylic acid Formula: C24H25N3O6 MolecularWeight: 451.4718

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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)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H25N3O6/c1-25-13-18(17-4-3-16(23(28)29)11-19(17)25)22(24(30)31)27-8-6-26(7-9-27)12-15-2-5-20-21(10-15)33-14-32-20/h2-5,10-11,13,22H,6-9,12,14H2,1H3,(H,28,29)(H,30,31)