[4-[(E)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate

Systemtic Name: [4-[(E)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-2-cyano-4,4-dimethyl-3-oxo-pent-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-keto-4,4-dimethyl-pent-1-enyl]-2-methoxy-phenyl] ester Formula: C23H23NO5 MolecularWeight: 393.43242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO5/c1-23(2,3)21(25)17(14-24)12-15-6-11-19(20(13-15)28-5)29-22(26)16-7-9-18(27-4)10-8-16/h6-13H,1-5H3/b17-12+