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

Systemtic Name: 4-[1-cyano-2-(4-ethoxy-2-methyl-5-propan-2-yl-phenyl)ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-(4-ethoxy-5-isopropyl-2-methyl-phenyl)vinyl]benzoic acid CAS Name: 4-[1-cyano-2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-(4-ethoxy-5-isopropyl-2-methyl-phenyl)vinyl]benzoic acid Formula: C22H23NO3 MolecularWeight: 349.42292

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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)