phenacyl 6-bromanyl-8-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: phenacyl 6-bromanyl-8-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: phenacyl 6-bromo-8-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-8-methyl-2-phenyl-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 6-bromo-8-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-8-methyl-2-phenyl-cinchoninic acid phenacyl ester Formula: C25H18BrNO3 MolecularWeight: 460.31932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H18BrNO3/c1-16-12-19(26)13-20-21(14-22(27-24(16)20)17-8-4-2-5-9-17)25(29)30-15-23(28)18-10-6-3-7-11-18/h2-14H,15H2,1H3