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

Systemtic Name: ethyl (4S)-6-[(1-oxidanylcyclohexyl)carbonyloxymethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(1-hydroxycyclohexanecarbonyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(1-hydroxycyclohexyl)-oxomethoxy]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(1-hydroxycyclohexanecarbonyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(1-hydroxycyclohexanecarbonyl)oxymethyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)COC(=O)C3(CCCCC3)O

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CC=C2)COC(=O)C3(CCCCC3)O

InChI

InChI=1S/C21H26N2O6/c1-2-28-18(24)16-15(13-29-19(25)21(27)11-7-4-8-12-21)22-20(26)23-17(16)14-9-5-3-6-10-14/h3,5-6,9-10,17,27H,2,4,7-8,11-13H2,1H3,(H2,22,23,26)/t17-/m0/s1