ethyl (4S)-4-(4-methoxyphenyl)-6-(4-methylpentanoyloxymethyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(4-methoxyphenyl)-6-(4-methylpentanoyloxymethyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(4-methoxyphenyl)-6-(4-methylpentanoyloxymethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-methoxyphenyl)-6-[(4-methyl-1-oxopentoxy)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-methoxyphenyl)-6-(4-methylpentanoyloxymethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-(4-methoxyphenyl)-6-(4-methylpentanoyloxymethyl)-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:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)COC(=O)CCC(C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)OC)COC(=O)CCC(C)C

InChI

InChI=1S/C21H28N2O6/c1-5-28-20(25)18-16(12-29-17(24)11-6-13(2)3)22-21(26)23-19(18)14-7-9-15(27-4)10-8-14/h7-10,13,19H,5-6,11-12H2,1-4H3,(H2,22,23,26)/t19-/m0/s1