4-[(E)-1-cyano-2-(4-ethoxy-2-methyl-5-propan-2-yl-phenyl)ethenyl]benzoate

Systemtic Name: 4-[(E)-1-cyano-2-(4-ethoxy-2-methyl-5-propan-2-yl-phenyl)ethenyl]benzoate Openeye Name: 4-[(E)-1-cyano-2-(4-ethoxy-5-isopropyl-2-methyl-phenyl)vinyl]benzoate CAS Name: 4-[(E)-1-cyano-2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)ethenyl]benzoate IUPAC Name: 4-[(E)-1-cyano-2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)ethenyl]benzoate Traditional Name: 4-[(E)-1-cyano-2-(4-ethoxy-5-isopropyl-2-methyl-phenyl)vinyl]benzoate Formula: C22H22NO3- MolecularWeight: 348.41498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C)C=C(C#N)C2=CC=C(C=C2)C(=O)[O-])C(C)C

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C)/C=C(/C#N)\C2=CC=C(C=C2)C(=O)[O-])C(C)C

InChI

InChI=1S/C22H23NO3/c1-5-26-21-10-15(4)18(12-20(21)14(2)3)11-19(13-23)16-6-8-17(9-7-16)22(24)25/h6-12,14H,5H2,1-4H3,(H,24,25)/p-1/b19-11-