ethyl 5-(2-phenylethanoyl)-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 5-(2-phenylethanoyl)-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,2-oxazole-3-carboxylate Openeye Name: ethyl 5-(2-phenylacetyl)-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)isoxazole-3-carboxylate CAS Name: 5-(1-oxo-2-phenylethyl)-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-phenylacetyl)-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,2-oxazole-3-carboxylate Traditional Name: 5-(2-phenylacetyl)-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)isoxazole-3-carboxylic acid ethyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1C2(OCC(CO2)(C)C)C)C(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NOC(=C1C2(OCC(CO2)(C)C)C)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H25NO6/c1-5-25-19(24)17-16(21(4)26-12-20(2,3)13-27-21)18(28-22-17)15(23)11-14-9-7-6-8-10-14/h6-10H,5,11-13H2,1-4H3