(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 2-ethyl-4-methyl-quinoline-3-carboxylate

Systemtic Name: (6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 2-ethyl-4-methyl-quinoline-3-carboxylate Openeye Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-ethyl-4-methyl-quinoline-3-carboxylate CAS Name: 2-ethyl-4-methyl-3-quinolinecarboxylic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-ethyl-4-methylquinoline-3-carboxylate Traditional Name: 2-ethyl-4-methyl-quinoline-3-carboxylic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H20FNO4 MolecularWeight: 381.396903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC3=C4C(=CC(=C3)F)COCO4)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC3=C4C(=CC(=C3)F)COCO4)C

InChI

InChI=1S/C22H20FNO4/c1-3-18-20(13(2)17-6-4-5-7-19(17)24-18)22(25)27-11-15-9-16(23)8-14-10-26-12-28-21(14)15/h4-9H,3,10-12H2,1-2H3