[3-(5-ethoxycarbonyl-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl)phenyl]boronic acid

Systemtic Name: [3-(5-ethoxycarbonyl-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl)phenyl]boronic acid Openeye Name: [3-(5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenyl]boronic acid CAS Name: [3-(5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenyl]boronic acid IUPAC Name: [3-(5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenyl]boronic acid Traditional Name: [3-(5-carbethoxy-2-keto-6-methyl-3,4-dihydro-1H-pyrimidin-4-yl)phenyl]boronic acid Formula: C14H17BN2O5 MolecularWeight: 304.10618

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC)(O)O

Isomeric SMILES

B(C1=CC(=CC=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC)(O)O

InChI

InChI=1S/C14H17BN2O5/c1-3-22-13(18)11-8(2)16-14(19)17-12(11)9-5-4-6-10(7-9)15(20)21/h4-7,12,20-21H,3H2,1-2H3,(H2,16,17,19)