[2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 2-propan-2-ylquinoline-4-carboxylate

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 2-propan-2-ylquinoline-4-carboxylate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] 2-isopropylquinoline-4-carboxylate CAS Name: 2-propan-2-yl-4-quinolinecarboxylic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] 2-propan-2-ylquinoline-4-carboxylate Traditional Name: 2-isopropylcinchoninic acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C21H18FNO3 MolecularWeight: 351.370923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H18FNO3/c1-13(2)19-11-17(16-5-3-4-6-18(16)23-19)21(25)26-12-20(24)14-7-9-15(22)10-8-14/h3-11,13H,12H2,1-2H3