phenacyl 6-bromanyl-3,7,8-trimethyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: phenacyl 6-bromanyl-3,7,8-trimethyl-2-phenyl-quinoline-4-carboxylate Openeye Name: phenacyl 6-bromo-3,7,8-trimethyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-3,7,8-trimethyl-2-phenyl-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 6-bromo-3,7,8-trimethyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-3,7,8-trimethyl-2-phenyl-cinchoninic acid phenacyl ester Formula: C27H22BrNO3 MolecularWeight: 488.37248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C(C(=NC2=C1C)C3=CC=CC=C3)C)C(=O)OCC(=O)C4=CC=CC=C4)Br

Isomeric SMILES

CC1=C(C=C2C(=C(C(=NC2=C1C)C3=CC=CC=C3)C)C(=O)OCC(=O)C4=CC=CC=C4)Br

InChI

InChI=1S/C27H22BrNO3/c1-16-17(2)26-21(14-22(16)28)24(18(3)25(29-26)20-12-8-5-9-13-20)27(31)32-15-23(30)19-10-6-4-7-11-19/h4-14H,15H2,1-3H3