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

Systemtic Name: [(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 1-cyano-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: [(1S,2R,5S)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 1-cyano-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-cyano-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-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-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-cyano-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid [(1S,2R,5S)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C29H36N2O4 MolecularWeight: 476.60714

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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)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)N2CCC3=CC(=C(C=C3C2C#N)OC)OC)C(C)(C)C4=CC=CC=C4

InChI

InChI=1S/C29H36N2O4/c1-19-11-12-23(29(2,3)21-9-7-6-8-10-21)25(15-19)35-28(32)31-14-13-20-16-26(33-4)27(34-5)17-22(20)24(31)18-30/h6-10,16-17,19,23-25H,11-15H2,1-5H3/t19-,23-,24?,25-/m0/s1