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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 1-cyano-1-prop-2-enyl-isoquinoline-2-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 1-allyl-1-cyano-isoquinoline-2-carboxylate CAS Name: 1-cyano-1-prop-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-prop-2-enylisoquinoline-2-carboxylate Traditional Name: 1-allyl-1-cyano-isoquinoline-2-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C24H30N2O2 MolecularWeight: 378.5072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H30N2O2/c1-5-13-24(16-25)21-9-7-6-8-19(21)12-14-26(24)23(27)28-22-15-18(4)10-11-20(22)17(2)3/h5-9,12,14,17-18,20,22H,1,10-11,13,15H2,2-4H3/t18-,20+,22-,24?/m1/s1