2-oxidanylidenepropyl 6-bromanyl-2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: 2-oxidanylidenepropyl 6-bromanyl-2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: acetonyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methoxyphenyl)-4-quinolinecarboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-methoxyphenyl)cinchoninic acid acetonyl ester Formula: C20H16BrNO4 MolecularWeight: 414.24934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)COC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H16BrNO4/c1-12(23)11-26-20(24)17-10-19(13-3-6-15(25-2)7-4-13)22-18-8-5-14(21)9-16(17)18/h3-10H,11H2,1-2H3