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

Systemtic Name: phenacyl 6-bromanyl-2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: phenacyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methoxyphenyl)-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-methoxyphenyl)cinchoninic acid phenacyl ester Formula: C25H18BrNO4 MolecularWeight: 476.31872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H18BrNO4/c1-30-19-10-7-16(8-11-19)23-14-21(20-13-18(26)9-12-22(20)27-23)25(29)31-15-24(28)17-5-3-2-4-6-17/h2-14H,15H2,1H3