[(1S,2S)-2-(phenylcarbonyloxymethyl)-3-pyrimidin-4-yl-cyclobutyl]methyl benzoate

Systemtic Name: [(1S,2S)-2-(phenylcarbonyloxymethyl)-3-pyrimidin-4-yl-cyclobutyl]methyl benzoate Openeye Name: [(1S,2S)-2-(benzoyloxymethyl)-3-pyrimidin-4-yl-cyclobutyl]methyl benzoate CAS Name: benzoic acid [(1S,2S)-2-(benzoyloxymethyl)-3-(4-pyrimidinyl)cyclobutyl]methyl ester IUPAC Name: [(1S,2S)-2-(benzoyloxymethyl)-3-pyrimidin-4-ylcyclobutyl]methyl benzoate Traditional Name: benzoic acid [(1S,2S)-2-(benzoyloxymethyl)-3-(4-pyrimidyl)cyclobutyl]methyl ester Formula: C24H22N2O4 MolecularWeight: 402.44248

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C1C2=NC=NC=C2)COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H]([C@H](C1C2=NC=NC=C2)COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H22N2O4/c27-23(17-7-3-1-4-8-17)29-14-19-13-20(22-11-12-25-16-26-22)21(19)15-30-24(28)18-9-5-2-6-10-18/h1-12,16,19-21H,13-15H2/t19-,20?,21-/m1/s1