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

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 1-cyano-6,7-dimethoxy-1-propan-2-yl-3,4-dihydroisoquinoline-2-carboxylate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 1-cyano-1-isopropyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2-carboxylate CAS Name: 1-cyano-6,7-dimethoxy-1-propan-2-yl-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-propan-2-yl-3,4-dihydroisoquinoline-2-carboxylate Traditional Name: 1-cyano-1-isopropyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2-carboxylic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C26H38N2O4 MolecularWeight: 442.59092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O4/c1-16(2)20-9-8-18(5)12-22(20)32-25(29)28-11-10-19-13-23(30-6)24(31-7)14-21(19)26(28,15-27)17(3)4/h13-14,16-18,20,22H,8-12H2,1-7H3/t18-,20+,22-,26?/m0/s1