[1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 2-butylquinoline-4-carboxylate

Systemtic Name: [1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 2-butylquinoline-4-carboxylate Openeye Name: [2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl] 2-butylquinoline-4-carboxylate CAS Name: 2-butyl-4-quinolinecarboxylic acid [1-(4-fluorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-butylquinoline-4-carboxylate Traditional Name: 2-butylcinchoninic acid [2-(4-fluorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C23H22FNO3 MolecularWeight: 379.424083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H22FNO3/c1-3-4-7-18-14-20(19-8-5-6-9-21(19)25-18)23(27)28-15(2)22(26)16-10-12-17(24)13-11-16/h5-6,8-15H,3-4,7H2,1-2H3