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

Systemtic Name: ethyl 6-[[(3S)-1-(4-chlorophenyl)carbonylpiperidin-3-yl]carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[(3S)-1-[(4-chlorophenyl)-oxomethyl]-3-piperidinyl]-oxomethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(3S)-1-(4-chlorobenzoyl)nipecotoyl]oxymethyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H24ClN3O6 MolecularWeight: 449.88476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3O6/c1-2-30-20(28)16-10-23-21(29)24-17(16)12-31-19(27)14-4-3-9-25(11-14)18(26)13-5-7-15(22)8-6-13/h5-8,14H,2-4,9-12H2,1H3,(H2,23,24,29)/t14-/m0/s1