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

Systemtic Name: 4-[2-[3-chloranyl-5-ethoxy-4-(naphthalen-2-ylmethoxy)phenyl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-[3-chloro-5-ethoxy-4-(2-naphthylmethoxy)phenyl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-[3-chloro-5-ethoxy-4-(2-naphthalenylmethoxy)phenyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-[3-chloro-5-ethoxy-4-(naphthalen-2-ylmethoxy)phenyl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-[3-chloro-5-ethoxy-4-(2-naphthylmethoxy)phenyl]-1-cyano-vinyl]benzoic acid Formula: C29H22ClNO4 MolecularWeight: 483.94228

Click to see the large picture

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=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)Cl)OCC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C29H22ClNO4/c1-2-34-27-16-20(14-25(17-31)22-9-11-23(12-10-22)29(32)33)15-26(30)28(27)35-18-19-7-8-21-5-3-4-6-24(21)13-19/h3-16H,2,18H2,1H3,(H,32,33)