4-[5-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]furan-2-yl]benzoic acid

Systemtic Name: 4-[5-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]furan-2-yl]benzoic acid Openeye Name: 4-[5-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)vinyl]-2-furyl]benzoic acid CAS Name: 4-[5-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-furanyl]benzoic acid IUPAC Name: 4-[5-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]furan-2-yl]benzoic acid Traditional Name: 4-[5-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)vinyl]-2-furyl]benzoic acid Formula: C22H17NO5 MolecularWeight: 375.37408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)O)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)C(=O)O)/C#N)OC

InChI

InChI=1S/C22H17NO5/c1-26-20-9-7-16(12-21(20)27-2)17(13-23)11-18-8-10-19(28-18)14-3-5-15(6-4-14)22(24)25/h3-12H,1-2H3,(H,24,25)/b17-11+