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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

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