[(1R)-1-(4-fluorophenyl)ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [(1R)-1-(4-fluorophenyl)ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [(1R)-1-(4-fluorophenyl)ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [(1R)-1-(4-fluorophenyl)ethyl] ester IUPAC Name: [(1R)-1-(4-fluorophenyl)ethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [(1R)-1-(4-fluorophenyl)ethyl] ester Formula: C21H20FNO2 MolecularWeight: 337.387403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)O[C@H](C)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FNO2/c1-4-18-13(2)20(17-7-5-6-8-19(17)23-18)21(24)25-14(3)15-9-11-16(22)12-10-15/h5-12,14H,4H2,1-3H3/t14-/m1/s1