[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (4R)-2-azanyl-5-cyano-4,6-diphenyl-4H-pyran-3-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (4R)-2-azanyl-5-cyano-4,6-diphenyl-4H-pyran-3-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (4R)-2-amino-5-cyano-4,6-diphenyl-4H-pyran-3-carboxylate CAS Name: (4R)-2-amino-5-cyano-4,6-diphenyl-4H-pyran-3-carboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (4R)-2-amino-5-cyano-4,6-diphenyl-4H-pyran-3-carboxylate Traditional Name: (4R)-2-amino-5-cyano-4,6-diphenyl-4H-pyran-3-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C29H32N2O3 MolecularWeight: 456.57598

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=C(OC(=C(C2C3=CC=CC=C3)C#N)C4=CC=CC=C4)N)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=C(OC(=C([C@H]2C3=CC=CC=C3)C#N)C4=CC=CC=C4)N)C(C)C

InChI

InChI=1S/C29H32N2O3/c1-18(2)22-15-14-19(3)16-24(22)33-29(32)26-25(20-10-6-4-7-11-20)23(17-30)27(34-28(26)31)21-12-8-5-9-13-21/h4-13,18-19,22,24-25H,14-16,31H2,1-3H3/t19-,22+,24-,25-/m1/s1