cyclooctyl 4-(2-chloranyl-6-fluoranyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate

Systemtic Name: cyclooctyl 4-(2-chloranyl-6-fluoranyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate Openeye Name: cyclooctyl 4-(2-chloro-6-fluoro-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate CAS Name: 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid cyclooctyl ester IUPAC Name: cyclooctyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate Traditional Name: 4-(2-chloro-6-fluoro-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyridine-5-carboxylic acid cyclooctyl ester Formula: C21H25ClFNO3 MolecularWeight: 393.879503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(=O)N1)C2=C(C=CC=C2Cl)F)C(=O)OC3CCCCCCC3

Isomeric SMILES

CC1=C(C(CC(=O)N1)C2=C(C=CC=C2Cl)F)C(=O)OC3CCCCCCC3

InChI

InChI=1S/C21H25ClFNO3/c1-13-19(21(26)27-14-8-5-3-2-4-6-9-14)15(12-18(25)24-13)20-16(22)10-7-11-17(20)23/h7,10-11,14-15H,2-6,8-9,12H2,1H3,(H,24,25)