(4-cyanophenyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: (4-cyanophenyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: (4-cyanophenyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid (4-cyanophenyl) ester Formula: C25H18N2O4 MolecularWeight: 410.42142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC4=CC=C(C=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC4=CC=C(C=C4)C#N)OC

InChI

InChI=1S/C25H18N2O4/c1-29-23-12-9-17(13-24(23)30-2)22-14-20(19-5-3-4-6-21(19)27-22)25(28)31-18-10-7-16(15-26)8-11-18/h3-14H,1-2H3