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

Systemtic Name: 3-phenylpropyl (4S)-4-(2-chloranyl-6-fluoranyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate Openeye Name: 3-phenylpropyl (4S)-4-(2-chloro-6-fluoro-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate CAS Name: (4S)-4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl (4S)-4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate Traditional Name: (4S)-4-(2-chloro-6-fluoro-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyridine-5-carboxylic acid 3-phenylpropyl ester Formula: C22H21ClFNO3 MolecularWeight: 401.858443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(=O)N1)C2=C(C=CC=C2Cl)F)C(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC1=C([C@H](CC(=O)N1)C2=C(C=CC=C2Cl)F)C(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C22H21ClFNO3/c1-14-20(22(27)28-12-6-9-15-7-3-2-4-8-15)16(13-19(26)25-14)21-17(23)10-5-11-18(21)24/h2-5,7-8,10-11,16H,6,9,12-13H2,1H3,(H,25,26)/t16-/m0/s1