ethanoic acid; (E)-3-(3-methoxy-4-oxidanyl-phenyl)-1-morpholin-4-yl-prop-2-en-1-one

Systemtic Name: ethanoic acid; (E)-3-(3-methoxy-4-oxidanyl-phenyl)-1-morpholin-4-yl-prop-2-en-1-one Openeye Name: acetic acid; (E)-3-(4-hydroxy-3-methoxy-phenyl)-1-morpholino-prop-2-en-1-one CAS Name: acetic acid; (E)-3-(4-hydroxy-3-methoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one IUPAC Name: acetic acid; (E)-3-(4-hydroxy-3-methoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one Traditional Name: acetic acid; (E)-3-(4-hydroxy-3-methoxy-phenyl)-1-morpholino-prop-2-en-1-one Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC1=C(C=CC(=C1)C=CC(=O)N2CCOCC2)O

Isomeric SMILES

CC(=O)O.COC1=C(C=CC(=C1)/C=C/C(=O)N2CCOCC2)O

InChI

InChI=1S/C14H17NO4.C2H4O2/c1-18-13-10-11(2-4-12(13)16)3-5-14(17)15-6-8-19-9-7-15;1-2(3)4/h2-5,10,16H,6-9H2,1H3;1H3,(H,3,4)/b5-3+;