hexyl (4R)-4-(3-ethoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: hexyl (4R)-4-(3-ethoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: hexyl (4R)-4-(3-ethoxy-4-hydroxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid hexyl ester IUPAC Name: hexyl (4R)-4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(3-ethoxy-4-hydroxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid hexyl ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)O)OCC)C

Isomeric SMILES

CCCCCCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC(=C(C=C2)O)OCC)C

InChI

InChI=1S/C20H28N2O5/c1-4-6-7-8-11-27-19(24)17-13(3)21-20(25)22-18(17)14-9-10-15(23)16(12-14)26-5-2/h9-10,12,18,23H,4-8,11H2,1-3H3,(H2,21,22,25)/t18-/m1/s1