(2-chloranyl-6-fluoranyl-phenyl)methyl 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid (2-chloro-6-fluoro-benzyl) ester Formula: C22H21ClFNO2 MolecularWeight: 385.859043

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H21ClFNO2/c1-3-8-19-14(4-2)21(15-9-5-6-12-20(15)25-19)22(26)27-13-16-17(23)10-7-11-18(16)24/h5-7,9-12H,3-4,8,13H2,1-2H3