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

Systemtic Name: methyl 4-[[4-[(E)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]-2-methoxy-phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[(E)-2-cyano-4,4-dimethyl-3-oxo-pent-1-enyl]-2-methoxy-phenoxy]methyl]benzoate CAS Name: 4-[[4-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]-2-methoxyphenoxy]methyl]benzoate Traditional Name: 4-[[4-[(E)-2-cyano-3-keto-4,4-dimethyl-pent-1-enyl]-2-methoxy-phenoxy]methyl]benzoic acid methyl ester Formula: C24H25NO5 MolecularWeight: 407.459

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO5/c1-24(2,3)22(26)19(14-25)12-17-8-11-20(21(13-17)28-4)30-15-16-6-9-18(10-7-16)23(27)29-5/h6-13H,15H2,1-5H3/b19-12+