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

Systemtic Name: methyl 4-[[4-[(E)-2-cyano-3-oxidanylidene-3-propan-2-yloxy-prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[(E)-2-cyano-3-isopropoxy-3-oxo-prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-[(E)-2-cyano-3-oxo-3-propan-2-yloxyprop-1-enyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(E)-2-cyano-3-oxo-3-propan-2-yloxyprop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[(E)-2-cyano-3-isopropoxy-3-keto-prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester Formula: C22H21NO5 MolecularWeight: 379.40584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(=CC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)OC)C#N

Isomeric SMILES

CC(C)OC(=O)/C(=C/C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)OC)/C#N

InChI

InChI=1S/C22H21NO5/c1-15(2)28-22(25)19(13-23)12-16-6-10-20(11-7-16)27-14-17-4-8-18(9-5-17)21(24)26-3/h4-12,15H,14H2,1-3H3/b19-12+