3-[[2-[2-cyano-2-(4-fluorophenyl)ethenyl]-6-methoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[2-[2-cyano-2-(4-fluorophenyl)ethenyl]-6-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 3-[[2-[2-cyano-2-(4-fluorophenyl)vinyl]-6-methoxy-phenoxy]methyl]benzoic acid CAS Name: 3-[[2-[2-cyano-2-(4-fluorophenyl)ethenyl]-6-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 3-[[2-[2-cyano-2-(4-fluorophenyl)ethenyl]-6-methoxyphenoxy]methyl]benzoic acid Traditional Name: 3-[[2-[2-cyano-2-(4-fluorophenyl)vinyl]-6-methoxy-phenoxy]methyl]benzoic acid Formula: C24H18FNO4 MolecularWeight: 403.402423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=CC(=C2)C(=O)O)C=C(C#N)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=CC(=C2)C(=O)O)C=C(C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H18FNO4/c1-29-22-7-3-5-18(13-20(14-26)17-8-10-21(25)11-9-17)23(22)30-15-16-4-2-6-19(12-16)24(27)28/h2-13H,15H2,1H3,(H,27,28)