[2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl] 2-(2-cyanophenoxy)ethanoate

Systemtic Name: [2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl] 2-(2-cyanophenoxy)ethanoate Openeye Name: [2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-oxo-ethyl] 2-(2-cyanophenoxy)acetate CAS Name: 2-(2-cyanophenoxy)acetic acid [2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] ester IUPAC Name: [2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(2-cyanophenoxy)acetate Traditional Name: 2-(2-cyanophenoxy)acetic acid [2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-keto-ethyl] ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)COC(=O)COC2=CC=CC=C2C#N)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)COC(=O)COC2=CC=CC=C2C#N)C(C)C

InChI

InChI=1S/C21H27NO5/c1-14(2)17-9-8-15(3)10-19(17)27-21(24)13-26-20(23)12-25-18-7-5-4-6-16(18)11-22/h4-7,14-15,17,19H,8-10,12-13H2,1-3H3/t15-,17+,19-/m0/s1