methyl 4-[[2-[(E)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(E)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[2-[(E)-2-cyano-4,4-dimethyl-3-oxo-pent-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[2-[(E)-2-cyano-3-keto-4,4-dimethyl-pent-1-enyl]phenoxy]methyl]benzoic acid methyl ester Formula: C23H23NO4 MolecularWeight: 377.43302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)OC)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/C1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)OC)/C#N

InChI

InChI=1S/C23H23NO4/c1-23(2,3)21(25)19(14-24)13-18-7-5-6-8-20(18)28-15-16-9-11-17(12-10-16)22(26)27-4/h5-13H,15H2,1-4H3/b19-13+