ethyl 6-bromanyl-2-(2,5-dimethylphenyl)quinoline-4-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-(2,5-dimethylphenyl)quinoline-4-carboxylate Openeye Name: ethyl 6-bromo-2-(2,5-dimethylphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(2,5-dimethylphenyl)-4-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-(2,5-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(2,5-dimethylphenyl)cinchoninic acid ethyl ester Formula: C20H18BrNO2 MolecularWeight: 384.26642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C20H18BrNO2/c1-4-24-20(23)17-11-19(15-9-12(2)5-6-13(15)3)22-18-8-7-14(21)10-16(17)18/h5-11H,4H2,1-3H3