[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (E)-5-(4-chlorophenyl)-5-oxidanyl-pent-2-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (E)-5-(4-chlorophenyl)-5-oxidanyl-pent-2-enoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (E)-5-(4-chlorophenyl)-5-hydroxy-pent-2-enoate CAS Name: (E)-5-(4-chlorophenyl)-5-hydroxy-2-pentenoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (E)-5-(4-chlorophenyl)-5-hydroxypent-2-enoate Traditional Name: (E)-5-(4-chlorophenyl)-5-hydroxy-pent-2-enoic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C21H29ClO3 MolecularWeight: 364.90616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C=CCC(C2=CC=C(C=C2)Cl)O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClO3/c1-14(2)18-12-7-15(3)13-20(18)25-21(24)6-4-5-19(23)16-8-10-17(22)11-9-16/h4,6,8-11,14-15,18-20,23H,5,7,12-13H2,1-3H3/b6-4+/t15-,18+,19?,20-/m1/s1