[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (1S)-1-cyano-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (1S)-1-cyano-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] (1S)-1-cyano-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (1S)-1-cyano-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (1S)-1-cyano-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (1S)-1-cyano-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C23H32N2O4 MolecularWeight: 400.51118

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N2CCC3=CC(=C(C=C3C2C#N)OC)OC)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)N2CCC3=CC(=C(C=C3[C@H]2C#N)OC)OC)C(C)C

InChI

InChI=1S/C23H32N2O4/c1-14(2)17-7-6-15(3)10-20(17)29-23(26)25-9-8-16-11-21(27-4)22(28-5)12-18(16)19(25)13-24/h11-12,14-15,17,19-20H,6-10H2,1-5H3/t15-,17+,19+,20-/m0/s1