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

Systemtic Name: ethyl (4S)-6-[(4-butoxy-3-ethoxy-phenyl)carbonyloxymethyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(4-butoxy-3-ethoxy-benzoyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(4-butoxy-3-ethoxyphenyl)-oxomethoxy]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(4-butoxy-3-ethoxybenzoyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(4-butoxy-3-ethoxy-benzoyl)oxymethyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H30N2O7 MolecularWeight: 434.4828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCC2=C(C(NC(=O)N2)C)C(=O)OCC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC2=C([C@@H](NC(=O)N2)C)C(=O)OCC)OCC

InChI

InChI=1S/C22H30N2O7/c1-5-8-11-30-17-10-9-15(12-18(17)28-6-2)20(25)31-13-16-19(21(26)29-7-3)14(4)23-22(27)24-16/h9-10,12,14H,5-8,11,13H2,1-4H3,(H2,23,24,27)/t14-/m0/s1