1,3-benzodioxol-5-yl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4,5-trimethoxyphenyl)cinchoninic acid 1,3-benzodioxol-5-yl ester Formula: C26H21NO7 MolecularWeight: 459.44744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H21NO7/c1-29-23-10-15(11-24(30-2)25(23)31-3)20-13-18(17-6-4-5-7-19(17)27-20)26(28)34-16-8-9-21-22(12-16)33-14-32-21/h4-13H,14H2,1-3H3