methyl 4-[(2-butyl-5-ethyl-6-oxidanyl-4-oxidanylidene-pyrimidin-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(2-butyl-5-ethyl-6-oxidanyl-4-oxidanylidene-pyrimidin-1-yl)methyl]benzoate Openeye Name: methyl 4-[(2-butyl-5-ethyl-6-hydroxy-4-oxo-pyrimidin-1-yl)methyl]benzoate CAS Name: 4-[(2-butyl-5-ethyl-6-hydroxy-4-oxo-1-pyrimidinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-butyl-5-ethyl-6-hydroxy-4-oxopyrimidin-1-yl)methyl]benzoate Traditional Name: 4-[(2-butyl-5-ethyl-6-hydroxy-4-keto-pyrimidin-1-yl)methyl]benzoic acid methyl ester Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=O)C(=C(N1CC2=CC=C(C=C2)C(=O)OC)O)CC

Isomeric SMILES

CCCCC1=NC(=O)C(=C(N1CC2=CC=C(C=C2)C(=O)OC)O)CC

InChI

InChI=1S/C19H24N2O4/c1-4-6-7-16-20-17(22)15(5-2)18(23)21(16)12-13-8-10-14(11-9-13)19(24)25-3/h8-11,23H,4-7,12H2,1-3H3