ethanedioic acid; 1-[3-methoxy-4-(3-morpholin-4-yl-2-oxidanyl-propoxy)phenyl]ethanone

Systemtic Name: ethanedioic acid; 1-[3-methoxy-4-(3-morpholin-4-yl-2-oxidanyl-propoxy)phenyl]ethanone Openeye Name: 1-[4-(2-hydroxy-3-morpholino-propoxy)-3-methoxy-phenyl]ethanone; oxalic acid CAS Name: 1-[4-[2-hydroxy-3-(4-morpholinyl)propoxy]-3-methoxyphenyl]ethanone; oxalic acid IUPAC Name: 1-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)-3-methoxyphenyl]ethanone; oxalic acid Traditional Name: 1-[4-(2-hydroxy-3-morpholino-propoxy)-3-methoxy-phenyl]ethanone; oxalic acid Formula: C18H25NO9 MolecularWeight: 399.3924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(CN2CCOCC2)O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCC(CN2CCOCC2)O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23NO5.C2H2O4/c1-12(18)13-3-4-15(16(9-13)20-2)22-11-14(19)10-17-5-7-21-8-6-17;3-1(4)2(5)6/h3-4,9,14,19H,5-8,10-11H2,1-2H3;(H,3,4)(H,5,6)