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

Systemtic Name: [(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 1-cyano-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2-carboxylate Openeye Name: [(1S,2R,5S)-5-methyl-2-(1-methyl-1-phenyl-ethyl)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-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 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-cumyl-5-methyl-cyclohexyl] ester Formula: C30H38N2O4 MolecularWeight: 490.63372

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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)C4=CC=CC=C4

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)C4=CC=CC=C4

InChI

InChI=1S/C30H38N2O4/c1-20-12-13-23(29(2,3)22-10-8-7-9-11-22)25(16-20)36-28(33)32-15-14-21-17-26(34-5)27(35-6)18-24(21)30(32,4)19-31/h7-11,17-18,20,23,25H,12-16H2,1-6H3/t20-,23-,25-,30?/m0/s1