4-[[3-(1-morpholin-4-yl-2-oxidanyl-2-oxidanylidene-ethyl)-1H-indol-5-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-(1-morpholin-4-yl-2-oxidanyl-2-oxidanylidene-ethyl)-1H-indol-5-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-(2-hydroxy-1-morpholino-2-oxo-ethyl)-1H-indol-5-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-[2-hydroxy-1-(4-morpholinyl)-2-oxoethyl]-1H-indol-5-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-(2-hydroxy-1-morpholin-4-yl-2-oxoethyl)-1H-indol-5-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-(2-hydroxy-2-keto-1-morpholino-ethyl)-1H-indol-5-yl]amino]-4-keto-butyric acid Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(C2=CNC3=C2C=C(C=C3)NC(=O)CCC(=O)O)C(=O)O

Isomeric SMILES

C1COCCN1C(C2=CNC3=C2C=C(C=C3)NC(=O)CCC(=O)O)C(=O)O

InChI

InChI=1S/C18H21N3O6/c22-15(3-4-16(23)24)20-11-1-2-14-12(9-11)13(10-19-14)17(18(25)26)21-5-7-27-8-6-21/h1-2,9-10,17,19H,3-8H2,(H,20,22)(H,23,24)(H,25,26)