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

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 1-cyano-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2-carboxylate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 1-cyano-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2-carboxylate CAS Name: 1-cyano-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2-carboxylic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 1-cyano-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2-carboxylate Traditional Name: 1-cyano-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2-carboxylic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C24H34N2O4 MolecularWeight: 414.53776

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N2CCC3=CC(=C(C=C3C2(C)C#N)OC)OC)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)N2CCC3=CC(=C(C=C3C2(C)C#N)OC)OC)C(C)C

InChI

InChI=1S/C24H34N2O4/c1-15(2)18-8-7-16(3)11-20(18)30-23(27)26-10-9-17-12-21(28-5)22(29-6)13-19(17)24(26,4)14-25/h12-13,15-16,18,20H,7-11H2,1-6H3/t16-,18+,20-,24?/m0/s1