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

Systemtic Name: phenacyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: phenacyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid phenacyl ester Formula: C26H21NO5 MolecularWeight: 427.44864

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)OCC(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H21NO5/c1-30-24-13-12-18(14-25(24)31-2)22-15-20(19-10-6-7-11-21(19)27-22)26(29)32-16-23(28)17-8-4-3-5-9-17/h3-15H,16H2,1-2H3