[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 1-cyano-1H-isoquinoline-2-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 1-cyano-1H-isoquinoline-2-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 1-cyano-1H-isoquinoline-2-carboxylate CAS Name: 1-cyano-1H-isoquinoline-2-carboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 1-cyano-1H-isoquinoline-2-carboxylate Traditional Name: 1-cyano-1H-isoquinoline-2-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N2C=CC3=CC=CC=C3C2C#N)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)N2C=CC3=CC=CC=C3C2C#N)C(C)C

InChI

InChI=1S/C21H26N2O2/c1-14(2)17-9-8-15(3)12-20(17)25-21(24)23-11-10-16-6-4-5-7-18(16)19(23)13-22/h4-7,10-11,14-15,17,19-20H,8-9,12H2,1-3H3/t15-,17+,19?,20-/m1/s1