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

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 1-cyano-1-methyl-isoquinoline-2-carboxylate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 1-cyano-1-methyl-isoquinoline-2-carboxylate CAS Name: 1-cyano-1-methyl-2-isoquinolinecarboxylic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 1-cyano-1-methylisoquinoline-2-carboxylate Traditional Name: 1-cyano-1-methyl-isoquinoline-2-carboxylic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C22H28N2O2 MolecularWeight: 352.46992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N2C=CC3=CC=CC=C3C2(C)C#N)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)N2C=CC3=CC=CC=C3C2(C)C#N)C(C)C

InChI

InChI=1S/C22H28N2O2/c1-15(2)18-10-9-16(3)13-20(18)26-21(25)24-12-11-17-7-5-6-8-19(17)22(24,4)14-23/h5-8,11-12,15-16,18,20H,9-10,13H2,1-4H3/t16-,18+,20-,22?/m0/s1