(E)-2-cyano-3-[3-methoxy-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-[3-methoxy-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-2-cyano-3-[3-methoxy-4-(2-morpholino-2-oxo-ethoxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-cyano-3-[3-methoxy-4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-2-cyano-3-[4-(2-keto-2-morpholino-ethoxy)-3-methoxy-phenyl]acrylic acid Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)O)OCC(=O)N2CCOCC2

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)O)OCC(=O)N2CCOCC2

InChI

InChI=1S/C17H18N2O6/c1-23-15-9-12(8-13(10-18)17(21)22)2-3-14(15)25-11-16(20)19-4-6-24-7-5-19/h2-3,8-9H,4-7,11H2,1H3,(H,21,22)/b13-8+