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

Systemtic Name: 4-[2-[3-chloranyl-4-[(2-cyanophenyl)methoxy]-5-ethoxy-phenyl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-[3-chloro-4-[(2-cyanophenyl)methoxy]-5-ethoxy-phenyl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-[3-chloro-4-[(2-cyanophenyl)methoxy]-5-ethoxyphenyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-[3-chloro-4-[(2-cyanophenyl)methoxy]-5-ethoxyphenyl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-[3-chloro-4-(2-cyanobenzyl)oxy-5-ethoxy-phenyl]-1-cyano-vinyl]benzoic acid Formula: C26H19ClN2O4 MolecularWeight: 458.89306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)Cl)OCC3=CC=CC=C3C#N

Isomeric SMILES

CCOC1=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/C26H19ClN2O4/c1-2-32-24-13-17(11-22(15-29)18-7-9-19(10-8-18)26(30)31)12-23(27)25(24)33-16-21-6-4-3-5-20(21)14-28/h3-13H,2,16H2,1H3,(H,30,31)