4-[2-[3-bromanyl-4-[(3-fluorophenyl)methoxy]-5-methoxy-phenyl]-1-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[2-[3-bromanyl-4-[(3-fluorophenyl)methoxy]-5-methoxy-phenyl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxy-phenyl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-[3-bromo-4-(3-fluorobenzyl)oxy-5-methoxy-phenyl]-1-cyano-vinyl]benzoic acid Formula: C24H17BrFNO4 MolecularWeight: 482.298483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)Br)OCC3=CC(=CC=C3)F

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)Br)OCC3=CC(=CC=C3)F

InChI

InChI=1S/C24H17BrFNO4/c1-30-22-12-16(9-19(13-27)17-5-7-18(8-6-17)24(28)29)11-21(25)23(22)31-14-15-3-2-4-20(26)10-15/h2-12H,14H2,1H3,(H,28,29)