methyl 2-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoyloxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoyloxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[2-(2-chloro-6-fluoro-phenyl)acetyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[2-(2-chloro-6-fluorophenyl)-1-oxoethoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[2-(2-chloro-6-fluoro-phenyl)acetyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C21H17ClFNO4 MolecularWeight: 401.815383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CC3=C(C=CC=C3Cl)F)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CC3=C(C=CC=C3Cl)F)C(=O)OC

InChI

InChI=1S/C21H17ClFNO4/c1-12-13-6-3-4-9-17(13)24-18(20(12)21(26)27-2)11-28-19(25)10-14-15(22)7-5-8-16(14)23/h3-9H,10-11H2,1-2H3