ethyl (4S)-4-ethyl-6-[(8-fluoranyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-ethyl-6-[(8-fluoranyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-6-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-6-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-6-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-6-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H24FN3O3 MolecularWeight: 361.410563

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CN2CCCC3=C2C(=CC=C3)F)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CN2CCCC3=C2C(=CC=C3)F)C(=O)OCC

InChI

InChI=1S/C19H24FN3O3/c1-3-14-16(18(24)26-4-2)15(22-19(25)21-14)11-23-10-6-8-12-7-5-9-13(20)17(12)23/h5,7,9,14H,3-4,6,8,10-11H2,1-2H3,(H2,21,22,25)/t14-/m0/s1