[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-methylquinoline-4-carboxylate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C21H18FNO3 MolecularWeight: 351.370923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H18FNO3/c1-14-13-18(17-5-2-3-6-19(17)23-14)21(25)26-12-4-7-20(24)15-8-10-16(22)11-9-15/h2-3,5-6,8-11,13H,4,7,12H2,1H3