[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 4-chloranylbutanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 4-chloranylbutanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 4-chlorobutanoate CAS Name: 4-chlorobutanoic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 4-chlorobutanoate Traditional Name: 4-chlorobutyric acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C20H29ClO2 MolecularWeight: 336.89606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CCCCl)C(C)(C)C2=CC=CC=C2

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CCCCl)C(C)(C)C2=CC=CC=C2

InChI

InChI=1S/C20H29ClO2/c1-15-11-12-17(18(14-15)23-19(22)10-7-13-21)20(2,3)16-8-5-4-6-9-16/h4-6,8-9,15,17-18H,7,10-14H2,1-3H3/t15-,17-,18-/m1/s1