phenacyl 6-bromanyl-2-(3,4-dimethylphenyl)quinoline-4-carboxylate

Systemtic Name: phenacyl 6-bromanyl-2-(3,4-dimethylphenyl)quinoline-4-carboxylate Openeye Name: phenacyl 6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(3,4-dimethylphenyl)-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(3,4-dimethylphenyl)cinchoninic acid phenacyl ester Formula: C26H20BrNO3 MolecularWeight: 474.3459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC=CC=C4)C

InChI

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