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

Systemtic Name: 3-[1-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-5-carboxylic acid Openeye Name: 3-[1-[4-[2-(dimethylamino)-2-oxo-ethyl]piperazin-1-yl]-2-hydroxy-2-oxo-ethyl]-1-methyl-indole-5-carboxylic acid CAS Name: 3-[1-[4-[2-(dimethylamino)-2-oxoethyl]-1-piperazinyl]-2-hydroxy-2-oxoethyl]-1-methyl-5-indolecarboxylic acid IUPAC Name: 3-[1-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-hydroxy-2-oxoethyl]-1-methylindole-5-carboxylic acid Traditional Name: 3-[1-[4-[2-(dimethylamino)-2-keto-ethyl]piperazino]-2-hydroxy-2-keto-ethyl]-1-methyl-indole-5-carboxylic acid Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)CC(=O)N(C)C

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)CC(=O)N(C)C

InChI

InChI=1S/C20H26N4O5/c1-21(2)17(25)12-23-6-8-24(9-7-23)18(20(28)29)15-11-22(3)16-5-4-13(19(26)27)10-14(15)16/h4-5,10-11,18H,6-9,12H2,1-3H3,(H,26,27)(H,28,29)