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

Systemtic Name: ethyl (4S)-4-ethyl-2-oxidanylidene-6-[[4-(propan-2-yloxymethyl)phenyl]carbonyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-6-[[4-(isopropoxymethyl)benzoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-2-oxo-6-[[oxo-[4-(propan-2-yloxymethyl)phenyl]methoxy]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-2-oxo-6-[[4-(propan-2-yloxymethyl)benzoyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-6-[[4-(isopropoxymethyl)benzoyl]oxymethyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O6/c1-5-16-18(20(25)27-6-2)17(23-21(26)22-16)12-29-19(24)15-9-7-14(8-10-15)11-28-13(3)4/h7-10,13,16H,5-6,11-12H2,1-4H3,(H2,22,23,26)/t16-/m0/s1