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

Systemtic Name: methyl 4-[[2-[(E)-2-cyano-3-(4-methoxyphenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[2-[(E)-2-cyano-3-(4-methoxyphenyl)-3-oxo-prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-[(E)-2-cyano-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(E)-2-cyano-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[2-[(E)-2-cyano-3-keto-3-(4-methoxyphenyl)prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester Formula: C26H21NO5 MolecularWeight: 427.44864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(=CC2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)OC)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C(=C/C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)OC)/C#N

InChI

InChI=1S/C26H21NO5/c1-30-23-13-11-19(12-14-23)25(28)22(16-27)15-21-5-3-4-6-24(21)32-17-18-7-9-20(10-8-18)26(29)31-2/h3-15H,17H2,1-2H3/b22-15+