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

Systemtic Name: ethyl 5-phenethyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,2-oxazole-3-carboxylate Openeye Name: ethyl 5-phenethyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)isoxazole-3-carboxylate CAS Name: 5-phenethyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenethyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,2-oxazole-3-carboxylate Traditional Name: 5-phenethyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)isoxazole-3-carboxylic acid ethyl ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1C2(OCC(CO2)(C)C)C)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NOC(=C1C2(OCC(CO2)(C)C)C)CCC3=CC=CC=C3

InChI

InChI=1S/C21H27NO5/c1-5-24-19(23)18-17(21(4)25-13-20(2,3)14-26-21)16(27-22-18)12-11-15-9-7-6-8-10-15/h6-10H,5,11-14H2,1-4H3