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

Systemtic Name: 4-[2-[3-chloranyl-4-[(2-cyanophenyl)methoxy]-5-methoxy-phenyl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-[3-chloro-4-[(2-cyanophenyl)methoxy]-5-methoxy-phenyl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-[3-chloro-4-[(2-cyanophenyl)methoxy]-5-methoxyphenyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-[3-chloro-4-[(2-cyanophenyl)methoxy]-5-methoxyphenyl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-[3-chloro-4-(2-cyanobenzyl)oxy-5-methoxy-phenyl]-1-cyano-vinyl]benzoic acid Formula: C25H17ClN2O4 MolecularWeight: 444.86648

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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)Cl)OCC3=CC=CC=C3C#N

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)Cl)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C25H17ClN2O4/c1-31-23-12-16(10-21(14-28)17-6-8-18(9-7-17)25(29)30)11-22(26)24(23)32-15-20-5-3-2-4-19(20)13-27/h2-12H,15H2,1H3,(H,29,30)