[(1R)-1-cyclohexyl-3-phenyl-propyl] (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carboxylate

Systemtic Name: [(1R)-1-cyclohexyl-3-phenyl-propyl] (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carboxylate Openeye Name: [(1R)-1-cyclohexyl-3-phenyl-propyl] (2S)-1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarboxylic acid [(1R)-1-cyclohexyl-3-phenylpropyl] ester IUPAC Name: [(1R)-1-cyclohexyl-3-phenylpropyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidine-2-carboxylic acid [(1R)-1-cyclohexyl-3-phenyl-propyl] ester Formula: C27H39NO4 MolecularWeight: 441.60286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OC(CCC2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O[C@H](CCC2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C27H39NO4/c1-4-27(2,3)24(29)25(30)28-19-11-16-22(28)26(31)32-23(21-14-9-6-10-15-21)18-17-20-12-7-5-8-13-20/h5,7-8,12-13,21-23H,4,6,9-11,14-19H2,1-3H3/t22-,23+/m0/s1