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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 1-cyano-1-(2-methylprop-2-enyl)isoquinoline-2-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 1-cyano-1-(2-methylallyl)isoquinoline-2-carboxylate CAS Name: 1-cyano-1-(2-methylprop-2-enyl)-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-(2-methylprop-2-enyl)isoquinoline-2-carboxylate Traditional Name: 1-cyano-1-(2-methylallyl)isoquinoline-2-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C25H32N2O2 MolecularWeight: 392.53378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O2/c1-17(2)15-25(16-26)22-9-7-6-8-20(22)12-13-27(25)24(28)29-23-14-19(5)10-11-21(23)18(3)4/h6-9,12-13,18-19,21,23H,1,10-11,14-15H2,2-5H3/t19-,21+,23-,25?/m1/s1