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

Systemtic Name: 3-phenylpropyl (4R)-4-(3-bromanyl-4-fluoranyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate Openeye Name: 3-phenylpropyl (4R)-4-(3-bromo-4-fluoro-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate CAS Name: (4R)-4-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl (4R)-4-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate Traditional Name: (4R)-4-(3-bromo-4-fluoro-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyridine-5-carboxylic acid 3-phenylpropyl ester Formula: C22H21BrFNO3 MolecularWeight: 446.309443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrFNO3/c1-14-21(22(27)28-11-5-8-15-6-3-2-4-7-15)17(13-20(26)25-14)16-9-10-19(24)18(23)12-16/h2-4,6-7,9-10,12,17H,5,8,11,13H2,1H3,(H,25,26)/t17-/m1/s1