(4-bromanyl-2-fluoranyl-phenyl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid (4-bromo-2-fluoro-benzyl) ester Formula: C20H17BrFNO2 MolecularWeight: 402.256883

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H17BrFNO2/c1-3-17-12(2)19(15-6-4-5-7-18(15)23-17)20(24)25-11-13-8-9-14(21)10-16(13)22/h4-10H,3,11H2,1-2H3