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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (4R)-2-azanyl-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (4R)-2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylate CAS Name: (4R)-2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-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-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylate Traditional Name: (4R)-2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C29H31ClN2O3 MolecularWeight: 491.02104

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=C(OC(=C(C2C3=CC=CC=C3Cl)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=C3Cl)C#N)C4=CC=CC=C4)N)C(C)C

InChI

InChI=1S/C29H31ClN2O3/c1-17(2)20-14-13-18(3)15-24(20)34-29(33)26-25(21-11-7-8-12-23(21)30)22(16-31)27(35-28(26)32)19-9-5-4-6-10-19/h4-12,17-18,20,24-25H,13-15,32H2,1-3H3/t18-,20+,24-,25-/m1/s1