[(1R,2S)-2-phenylcyclohexyl] 4-methyl-3-(2,4,6-trimethylphenyl)-1,2-oxazole-5-carboxylate

Systemtic Name: [(1R,2S)-2-phenylcyclohexyl] 4-methyl-3-(2,4,6-trimethylphenyl)-1,2-oxazole-5-carboxylate Openeye Name: [(1R,2S)-2-phenylcyclohexyl] 4-methyl-3-(2,4,6-trimethylphenyl)isoxazole-5-carboxylate CAS Name: 4-methyl-3-(2,4,6-trimethylphenyl)-5-isoxazolecarboxylic acid [(1R,2S)-2-phenylcyclohexyl] ester IUPAC Name: [(1R,2S)-2-phenylcyclohexyl] 4-methyl-3-(2,4,6-trimethylphenyl)-1,2-oxazole-5-carboxylate Traditional Name: 3-mesityl-4-methyl-isoxazole-5-carboxylic acid [(1R,2S)-2-phenylcyclohexyl] ester Formula: C26H29NO3 MolecularWeight: 403.51336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=NOC(=C2C)C(=O)OC3CCCCC3C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=NOC(=C2C)C(=O)O[C@@H]3CCCC[C@H]3C4=CC=CC=C4)C

InChI

InChI=1S/C26H29NO3/c1-16-14-17(2)23(18(3)15-16)24-19(4)25(30-27-24)26(28)29-22-13-9-8-12-21(22)20-10-6-5-7-11-20/h5-7,10-11,14-15,21-22H,8-9,12-13H2,1-4H3/t21-,22+/m0/s1