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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO3/c1-16-14-17(2)23(18(3)15-16)25-24(19(4)30-27-25)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