[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-cyano-4-phenyl-butanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-cyano-4-phenyl-butanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-cyano-4-phenyl-butanoate CAS Name: 2-cyano-4-phenylbutanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-cyano-4-phenylbutanoate Traditional Name: 2-cyano-4-phenyl-butyric acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(CCC2=CC=CC=C2)C#N)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(CCC2=CC=CC=C2)C#N)C(C)C

InChI

InChI=1S/C21H29NO2/c1-15(2)19-12-9-16(3)13-20(19)24-21(23)18(14-22)11-10-17-7-5-4-6-8-17/h4-8,15-16,18-20H,9-13H2,1-3H3/t16-,18?,19+,20-/m1/s1