2-methylpropyl 2-(4-oxidanyl-6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl)hexanoate

Systemtic Name: 2-methylpropyl 2-(4-oxidanyl-6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl)hexanoate Openeye Name: isobutyl 2-(4-hydroxy-6-oxo-2-phenyl-1H-pyrimidin-5-yl)hexanoate CAS Name: 2-(4-hydroxy-6-oxo-2-phenyl-1H-pyrimidin-5-yl)hexanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-(4-hydroxy-6-oxo-2-phenyl-1H-pyrimidin-5-yl)hexanoate Traditional Name: 2-(4-hydroxy-6-keto-2-phenyl-1H-pyrimidin-5-yl)hexanoic acid isobutyl ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C(N=C(NC1=O)C2=CC=CC=C2)O)C(=O)OCC(C)C

Isomeric SMILES

CCCCC(C1=C(N=C(NC1=O)C2=CC=CC=C2)O)C(=O)OCC(C)C

InChI

InChI=1S/C20H26N2O4/c1-4-5-11-15(20(25)26-12-13(2)3)16-18(23)21-17(22-19(16)24)14-9-7-6-8-10-14/h6-10,13,15H,4-5,11-12H2,1-3H3,(H2,21,22,23,24)