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

Systemtic Name: [(1R,2S)-2-phenylcyclohexyl] 3-(2,4,6-trimethylphenyl)-1,2-oxazole-4-carboxylate Openeye Name: [(1R,2S)-2-phenylcyclohexyl] 3-(2,4,6-trimethylphenyl)isoxazole-4-carboxylate CAS Name: 3-(2,4,6-trimethylphenyl)-4-isoxazolecarboxylic acid [(1R,2S)-2-phenylcyclohexyl] ester IUPAC Name: [(1R,2S)-2-phenylcyclohexyl] 3-(2,4,6-trimethylphenyl)-1,2-oxazole-4-carboxylate Traditional Name: 3-mesitylisoxazole-4-carboxylic acid [(1R,2S)-2-phenylcyclohexyl] ester Formula: C25H27NO3 MolecularWeight: 389.48678

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO3/c1-16-13-17(2)23(18(3)14-16)24-21(15-28-26-24)25(27)29-22-12-8-7-11-20(22)19-9-5-4-6-10-19/h4-6,9-10,13-15,20,22H,7-8,11-12H2,1-3H3/t20-,22+/m0/s1