[(2S,5S)-5-(2-oxidanylidene-5-phenyl-pyrimidin-1-yl)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2S,5S)-5-(2-oxidanylidene-5-phenyl-pyrimidin-1-yl)oxolan-2-yl]methyl benzoate Openeye Name: [(2S,5S)-5-(2-oxo-5-phenyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,5S)-5-(2-oxo-5-phenyl-1-pyrimidinyl)-2-oxolanyl]methyl ester IUPAC Name: [(2S,5S)-5-(2-oxo-5-phenylpyrimidin-1-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,5S)-5-(2-keto-5-phenyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl ester Formula: C22H20N2O4 MolecularWeight: 376.4052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1COC(=O)C2=CC=CC=C2)N3C=C(C=NC3=O)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H](O[C@@H]1COC(=O)C2=CC=CC=C2)N3C=C(C=NC3=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O4/c25-21(17-9-5-2-6-10-17)27-15-19-11-12-20(28-19)24-14-18(13-23-22(24)26)16-7-3-1-4-8-16/h1-10,13-14,19-20H,11-12,15H2/t19-,20-/m0/s1