ethyl (4S)-4-ethyl-6-[[1-(2-fluorophenyl)cyclopentyl]carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-ethyl-6-[[1-(2-fluorophenyl)cyclopentyl]carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-6-[[1-(2-fluorophenyl)cyclopentanecarbonyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-6-[[[1-(2-fluorophenyl)cyclopentyl]-oxomethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-6-[[1-(2-fluorophenyl)cyclopentanecarbonyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-6-[[1-(2-fluorophenyl)cyclopentanecarbonyl]oxymethyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H27FN2O5 MolecularWeight: 418.458583

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)C2(CCCC2)C3=CC=CC=C3F)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)C2(CCCC2)C3=CC=CC=C3F)C(=O)OCC

InChI

InChI=1S/C22H27FN2O5/c1-3-16-18(19(26)29-4-2)17(25-21(28)24-16)13-30-20(27)22(11-7-8-12-22)14-9-5-6-10-15(14)23/h5-6,9-10,16H,3-4,7-8,11-13H2,1-2H3,(H2,24,25,28)/t16-/m0/s1