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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N3CCN(CC3)CC(=O)N4CCOCC4

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N3CCN(CC3)CC(=O)N4CCOCC4

InChI

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