[2-[(1S,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[(1S,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[(1S,2S,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] ester IUPAC Name: [2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[(1S,2S,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-keto-ethyl] ester Formula: C20H25NO4 MolecularWeight: 343.4168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)COC(=O)C2=CC=C(C=C2)C#N)C(C)C

Isomeric SMILES

C[C@H]1CC[C@H]([C@H](C1)OC(=O)COC(=O)C2=CC=C(C=C2)C#N)C(C)C

InChI

InChI=1S/C20H25NO4/c1-13(2)17-9-4-14(3)10-18(17)25-19(22)12-24-20(23)16-7-5-15(11-21)6-8-16/h5-8,13-14,17-18H,4,9-10,12H2,1-3H3/t14-,17-,18-/m0/s1