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

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid (4-bromo-2-fluoro-benzyl) ester Formula: C22H21BrFNO2 MolecularWeight: 430.310043

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C22H21BrFNO2/c1-3-7-19-16(4-2)21(17-8-5-6-9-20(17)25-19)22(26)27-13-14-10-11-15(23)12-18(14)24/h5-6,8-12H,3-4,7,13H2,1-2H3