methyl (4R,5R)-5-tert-butyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate

Systemtic Name: methyl (4R,5R)-5-tert-butyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate Openeye Name: methyl (4R,5R)-5-tert-butyl-3-(2,4,6-trimethylphenyl)-4,5-dihydroisoxazole-4-carboxylate CAS Name: (4R,5R)-5-tert-butyl-3-(2,4,6-trimethylphenyl)-4,5-dihydroisoxazole-4-carboxylic acid methyl ester IUPAC Name: methyl (4R,5R)-5-tert-butyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate Traditional Name: (4R,5R)-5-tert-butyl-3-mesityl-2-isoxazoline-4-carboxylic acid methyl ester Formula: C18H25NO3 MolecularWeight: 303.396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=NOC(C2C(=O)OC)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=NO[C@H]([C@@H]2C(=O)OC)C(C)(C)C)C

InChI

InChI=1S/C18H25NO3/c1-10-8-11(2)13(12(3)9-10)15-14(17(20)21-7)16(22-19-15)18(4,5)6/h8-9,14,16H,1-7H3/t14-,16-/m1/s1