cyclooctyl (4S)-4-[2,3-bis(fluoranyl)phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate

Systemtic Name: cyclooctyl (4S)-4-[2,3-bis(fluoranyl)phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate Openeye Name: cyclooctyl (4S)-4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate CAS Name: (4S)-4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid cyclooctyl ester IUPAC Name: cyclooctyl (4S)-4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate Traditional Name: (4S)-4-(2,3-difluorophenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyridine-5-carboxylic acid cyclooctyl ester Formula: C21H25F2NO3 MolecularWeight: 377.424906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C([C@H](CC(=O)N1)C2=C(C(=CC=C2)F)F)C(=O)OC3CCCCCCC3

InChI

InChI=1S/C21H25F2NO3/c1-13-19(21(26)27-14-8-5-3-2-4-6-9-14)16(12-18(25)24-13)15-10-7-11-17(22)20(15)23/h7,10-11,14,16H,2-6,8-9,12H2,1H3,(H,24,25)/t16-/m1/s1