[4-[(E)-2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2-phenoxyethanoate

Systemtic Name: [4-[(E)-2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2-phenoxyethanoate Openeye Name: [4-[(E)-2-cyano-3-morpholino-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid [4-[(E)-2-cyano-3-(4-morpholinyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]-2-methoxyphenyl] 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [4-[(E)-2-cyano-3-keto-3-morpholino-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N2CCOCC2)OC(=O)COC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N2CCOCC2)OC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O6/c1-28-21-14-17(13-18(15-24)23(27)25-9-11-29-12-10-25)7-8-20(21)31-22(26)16-30-19-5-3-2-4-6-19/h2-8,13-14H,9-12,16H2,1H3/b18-13+