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

Systemtic Name: [(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(2-cyanophenoxy)ethanoate Openeye Name: [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-(2-cyanophenoxy)acetate CAS Name: 2-(2-cyanophenoxy)acetic acid [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-cyanophenoxy)acetate Traditional Name: 2-(2-cyanophenoxy)acetic acid [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C19H25NO3 MolecularWeight: 315.4067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO3/c1-13(2)16-9-8-14(3)10-18(16)23-19(21)12-22-17-7-5-4-6-15(17)11-20/h4-7,13-14,16,18H,8-10,12H2,1-3H3/t14-,16-,18+/m0/s1