[(3R)-4,4-dimethyl-2-oxidanylidene-1-phenyl-pyrrolidin-3-yl] (2R)-3-cyano-2-[4-(2-methylpropyl)phenyl]propanoate

Systemtic Name: [(3R)-4,4-dimethyl-2-oxidanylidene-1-phenyl-pyrrolidin-3-yl] (2R)-3-cyano-2-[4-(2-methylpropyl)phenyl]propanoate Openeye Name: [(3R)-4,4-dimethyl-2-oxo-1-phenyl-pyrrolidin-3-yl] (2R)-3-cyano-2-(4-isobutylphenyl)propanoate CAS Name: (2R)-3-cyano-2-[4-(2-methylpropyl)phenyl]propanoic acid [(3R)-4,4-dimethyl-2-oxo-1-phenyl-3-pyrrolidinyl] ester IUPAC Name: [(3R)-4,4-dimethyl-2-oxo-1-phenylpyrrolidin-3-yl] (2R)-3-cyano-2-[4-(2-methylpropyl)phenyl]propanoate Traditional Name: (2R)-3-cyano-2-(4-isobutylphenyl)propionic acid [(3R)-2-keto-4,4-dimethyl-1-phenyl-pyrrolidin-3-yl] ester Formula: C26H30N2O3 MolecularWeight: 418.528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(CC#N)C(=O)OC2C(=O)N(CC2(C)C)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)[C@@H](CC#N)C(=O)O[C@H]2C(=O)N(CC2(C)C)C3=CC=CC=C3

InChI

InChI=1S/C26H30N2O3/c1-18(2)16-19-10-12-20(13-11-19)22(14-15-27)25(30)31-23-24(29)28(17-26(23,3)4)21-8-6-5-7-9-21/h5-13,18,22-23H,14,16-17H2,1-4H3/t22-,23+/m1/s1