4-[[4-[(E)-2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoate

Systemtic Name: 4-[[4-[(E)-2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoate Openeye Name: 4-[[4-[(E)-2-cyano-3-morpholino-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoate CAS Name: 4-[[4-[(E)-2-cyano-3-(4-morpholinyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate IUPAC Name: 4-[[4-[(E)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate Traditional Name: 4-[[4-[(E)-2-cyano-3-keto-3-morpholino-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoate Formula: C23H21N2O6- MolecularWeight: 421.42264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N2CCOCC2)OCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N2CCOCC2)OCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C23H22N2O6/c1-29-21-13-17(12-19(14-24)22(26)25-8-10-30-11-9-25)4-7-20(21)31-15-16-2-5-18(6-3-16)23(27)28/h2-7,12-13H,8-11,15H2,1H3,(H,27,28)/p-1/b19-12+