ethyl (4S)-4-ethyl-6-[4-(3-methylphenoxy)butanoyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-ethyl-6-[4-(3-methylphenoxy)butanoyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-6-[4-(3-methylphenoxy)butanoyloxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-6-[[4-(3-methylphenoxy)-1-oxobutoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-6-[4-(3-methylphenoxy)butanoyloxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[4-(3-methylphenoxy)butanoyloxymethyl]-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)CCCOC2=CC=CC(=C2)C)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)CCCOC2=CC=CC(=C2)C)C(=O)OCC

InChI

InChI=1S/C21H28N2O6/c1-4-16-19(20(25)27-5-2)17(23-21(26)22-16)13-29-18(24)10-7-11-28-15-9-6-8-14(3)12-15/h6,8-9,12,16H,4-5,7,10-11,13H2,1-3H3,(H2,22,23,26)/t16-/m0/s1