[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 1-cyano-1-[(3-methoxyphenyl)methyl]isoquinoline-2-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 1-cyano-1-[(3-methoxyphenyl)methyl]isoquinoline-2-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 1-cyano-1-[(3-methoxyphenyl)methyl]isoquinoline-2-carboxylate CAS Name: 1-cyano-1-[(3-methoxyphenyl)methyl]-2-isoquinolinecarboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 1-cyano-1-[(3-methoxyphenyl)methyl]isoquinoline-2-carboxylate Traditional Name: 1-cyano-1-m-anisyl-isoquinoline-2-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C29H34N2O3 MolecularWeight: 458.59186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N2C=CC3=CC=CC=C3C2(CC4=CC(=CC=C4)OC)C#N)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)N2C=CC3=CC=CC=C3C2(CC4=CC(=CC=C4)OC)C#N)C(C)C

InChI

InChI=1S/C29H34N2O3/c1-20(2)25-13-12-21(3)16-27(25)34-28(32)31-15-14-23-9-5-6-11-26(23)29(31,19-30)18-22-8-7-10-24(17-22)33-4/h5-11,14-15,17,20-21,25,27H,12-13,16,18H2,1-4H3/t21-,25+,27-,29?/m1/s1