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

Systemtic Name: ethyl (4S)-4-(4-chlorophenyl)-6-[(1-ethanoylpiperidin-4-yl)carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(1-acetylpiperidine-4-carbonyl)oxymethyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(1-acetyl-4-piperidinyl)-oxomethoxy]methyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(1-acetylpiperidine-4-carbonyl)oxymethyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(1-acetylisonipecotoyl)oxymethyl]-4-(4-chlorophenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H26ClN3O6 MolecularWeight: 463.91134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)COC(=O)C3CCN(CC3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)Cl)COC(=O)C3CCN(CC3)C(=O)C

InChI

InChI=1S/C22H26ClN3O6/c1-3-31-21(29)18-17(12-32-20(28)15-8-10-26(11-9-15)13(2)27)24-22(30)25-19(18)14-4-6-16(23)7-5-14/h4-7,15,19H,3,8-12H2,1-2H3,(H2,24,25,30)/t19-/m0/s1