4-[1-cyano-2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]ethenyl]benzoic acid

Systemtic Name: 4-[1-cyano-2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-[3-methoxy-4-(p-tolylmethoxy)phenyl]vinyl]benzoic acid CAS Name: 4-[1-cyano-2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-[3-methoxy-4-(4-methylbenzyl)oxy-phenyl]vinyl]benzoic acid Formula: C25H21NO4 MolecularWeight: 399.43854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C(C#N)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C(C#N)C3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C25H21NO4/c1-17-3-5-18(6-4-17)16-30-23-12-7-19(14-24(23)29-2)13-22(15-26)20-8-10-21(11-9-20)25(27)28/h3-14H,16H2,1-2H3,(H,27,28)