phenacyl 6-bromanyl-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: phenacyl 6-bromanyl-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate Openeye Name: phenacyl 6-bromo-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-3,8-dimethyl-2-phenyl-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 6-bromo-3,8-dimethyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-3,8-dimethyl-2-phenyl-cinchoninic acid phenacyl ester Formula: C26H20BrNO3 MolecularWeight: 474.3459

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20BrNO3/c1-16-13-20(27)14-21-23(26(30)31-15-22(29)18-9-5-3-6-10-18)17(2)25(28-24(16)21)19-11-7-4-8-12-19/h3-14H,15H2,1-2H3