(2R,3S,4R,5S)-3-(3-chloranyl-2-fluoranyl-phenyl)-4-(4-chlorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-N-[(3R)-3-methyl-4-oxidanyl-butyl]pyrrolidine-2-carboxamide

Systemtic Name: (2R,3S,4R,5S)-3-(3-chloranyl-2-fluoranyl-phenyl)-4-(4-chlorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-N-[(3R)-3-methyl-4-oxidanyl-butyl]pyrrolidine-2-carboxamide Openeye Name: (2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chlorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-N-[(3R)-4-hydroxy-3-methyl-butyl]pyrrolidine-2-carboxamide CAS Name: (2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-N-[(3R)-4-hydroxy-3-methylbutyl]-2-pyrrolidinecarboxamide IUPAC Name: (2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-N-[(3R)-4-hydroxy-3-methylbutyl]pyrrolidine-2-carboxamide Traditional Name: (2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chlorophenyl)-4-cyano-N-[(3R)-4-hydroxy-3-methyl-butyl]-5-neopentyl-pyrrolidine-2-carboxamide Formula: C28H34Cl2FN3O2 MolecularWeight: 534.492863

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=O)C1C(C(C(N1)CC(C)(C)C)(C#N)C2=CC=C(C=C2)Cl)C3=C(C(=CC=C3)Cl)F)CO

Isomeric SMILES

C[C@H](CCNC(=O)[C@H]1[C@@H]([C@@]([C@@H](N1)CC(C)(C)C)(C#N)C2=CC=C(C=C2)Cl)C3=C(C(=CC=C3)Cl)F)CO

InChI

InChI=1S/C28H34Cl2FN3O2/c1-17(15-35)12-13-33-26(36)25-23(20-6-5-7-21(30)24(20)31)28(16-32,18-8-10-19(29)11-9-18)22(34-25)14-27(2,3)4/h5-11,17,22-23,25,34-35H,12-15H2,1-4H3,(H,33,36)/t17-,22+,23+,25-,28+/m1/s1