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

Systemtic Name: methyl (4R,5S)-5-cyclohexyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate Openeye Name: methyl (4R,5S)-5-cyclohexyl-3-(2,4,6-trimethylphenyl)-4,5-dihydroisoxazole-4-carboxylate CAS Name: (4R,5S)-5-cyclohexyl-3-(2,4,6-trimethylphenyl)-4,5-dihydroisoxazole-4-carboxylic acid methyl ester IUPAC Name: methyl (4R,5S)-5-cyclohexyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate Traditional Name: (4R,5S)-5-cyclohexyl-3-mesityl-2-isoxazoline-4-carboxylic acid methyl ester Formula: C20H27NO3 MolecularWeight: 329.43328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=NOC(C2C(=O)OC)C3CCCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=NO[C@H]([C@@H]2C(=O)OC)C3CCCCC3)C

InChI

InChI=1S/C20H27NO3/c1-12-10-13(2)16(14(3)11-12)18-17(20(22)23-4)19(24-21-18)15-8-6-5-7-9-15/h10-11,15,17,19H,5-9H2,1-4H3/t17-,19+/m1/s1