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

Systemtic Name: [(1R,2S,5R)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methyl-cyclohexyl] but-2-ynoate Openeye Name: [(1R,2S,5R)-2-[1-(4-methoxyphenyl)-1-methyl-ethyl]-5-methyl-cyclohexyl] but-2-ynoate CAS Name: 2-butynoic acid [(1R,2S,5R)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methylcyclohexyl] but-2-ynoate Traditional Name: but-2-ynoic acid [(1R,2S,5R)-2-[1-(4-methoxyphenyl)-1-methyl-ethyl]-5-methyl-cyclohexyl] ester Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28O3/c1-6-7-20(22)24-19-14-15(2)8-13-18(19)21(3,4)16-9-11-17(23-5)12-10-16/h9-12,15,18-19H,8,13-14H2,1-5H3/t15-,18-,19-/m1/s1