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

Systemtic Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylic acid Openeye Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[2-keto-2-(4-piperonylpiperazino)ethyl]-1-methyl-indole-2-carboxylic acid Formula: C24H25N3O5 MolecularWeight: 435.4724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O5/c1-25-19-5-3-2-4-17(19)18(23(25)24(29)30)13-22(28)27-10-8-26(9-11-27)14-16-6-7-20-21(12-16)32-15-31-20/h2-7,12H,8-11,13-15H2,1H3,(H,29,30)