[(1R,2S,5R)-5-methyl-2-[2-(4-phenylphenyl)propan-2-yl]cyclohexyl] but-2-ynoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-[2-(4-phenylphenyl)propan-2-yl]cyclohexyl] but-2-ynoate Openeye Name: [(1R,2S,5R)-5-methyl-2-[1-methyl-1-(4-phenylphenyl)ethyl]cyclohexyl] but-2-ynoate CAS Name: 2-butynoic acid [(1R,2S,5R)-5-methyl-2-[2-(4-phenylphenyl)propan-2-yl]cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-[2-(4-phenylphenyl)propan-2-yl]cyclohexyl] but-2-ynoate Traditional Name: but-2-ynoic acid [(1R,2S,5R)-5-methyl-2-[1-methyl-1-(4-phenylphenyl)ethyl]cyclohexyl] ester Formula: C26H30O2 MolecularWeight: 374.5152

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)OC1CC(CCC1C(C)(C)C2=CC=C(C=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC#CC(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)(C)C2=CC=C(C=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C26H30O2/c1-5-9-25(27)28-24-18-19(2)12-17-23(24)26(3,4)22-15-13-21(14-16-22)20-10-7-6-8-11-20/h6-8,10-11,13-16,19,23-24H,12,17-18H2,1-4H3/t19-,23-,24-/m1/s1