4-[1-cyano-2-(3-ethoxy-4-oxidanyl-5-prop-2-enyl-phenyl)ethenyl]benzoic acid

Systemtic Name: 4-[1-cyano-2-(3-ethoxy-4-oxidanyl-5-prop-2-enyl-phenyl)ethenyl]benzoic acid Openeye Name: 4-[2-(3-allyl-5-ethoxy-4-hydroxy-phenyl)-1-cyano-vinyl]benzoic acid CAS Name: 4-[1-cyano-2-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)ethenyl]benzoic acid Traditional Name: 4-[2-(3-allyl-5-ethoxy-4-hydroxy-phenyl)-1-cyano-vinyl]benzoic acid Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)CC=C)C=C(C#N)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCOC1=CC(=CC(=C1O)CC=C)C=C(C#N)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H19NO4/c1-3-5-17-10-14(12-19(20(17)23)26-4-2)11-18(13-22)15-6-8-16(9-7-15)21(24)25/h3,6-12,23H,1,4-5H2,2H3,(H,24,25)