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

Systemtic Name: 1-methyl-3-[1-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]indole-5-carboxylic acid Openeye Name: 3-[2-hydroxy-1-[4-(2-morpholino-2-oxo-ethyl)piperazin-1-yl]-2-oxo-ethyl]-1-methyl-indole-5-carboxylic acid CAS Name: 3-[2-hydroxy-1-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazinyl]-2-oxoethyl]-1-methyl-5-indolecarboxylic acid IUPAC Name: 3-[2-hydroxy-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-1-methylindole-5-carboxylic acid Traditional Name: 3-[2-hydroxy-2-keto-1-[4-(2-keto-2-morpholino-ethyl)piperazino]ethyl]-1-methyl-indole-5-carboxylic acid Formula: C22H28N4O6 MolecularWeight: 444.48092

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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)N4CCOCC4

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)CC(=O)N4CCOCC4

InChI

InChI=1S/C22H28N4O6/c1-23-13-17(16-12-15(21(28)29)2-3-18(16)23)20(22(30)31)26-6-4-24(5-7-26)14-19(27)25-8-10-32-11-9-25/h2-3,12-13,20H,4-11,14H2,1H3,(H,28,29)(H,30,31)