methyl 2-[[4-(4-fluorophenyl)-4-oxidanylidene-butanoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[4-(4-fluorophenyl)-4-oxidanylidene-butanoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[4-(4-fluorophenyl)-4-oxo-butanoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[4-(4-fluorophenyl)-1,4-dioxobutoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-fluorophenyl)-4-oxobutanoyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[4-(4-fluorophenyl)-4-keto-butanoyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C23H20FNO5 MolecularWeight: 409.407003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CCC(=O)C3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CCC(=O)C3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C23H20FNO5/c1-14-17-5-3-4-6-18(17)25-19(22(14)23(28)29-2)13-30-21(27)12-11-20(26)15-7-9-16(24)10-8-15/h3-10H,11-13H2,1-2H3