ethyl (3S,4R)-4-phenyl-1-(phenylmethyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylate

Systemtic Name: ethyl (3S,4R)-4-phenyl-1-(phenylmethyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylate Openeye Name: ethyl (3S,4R)-1-benzyl-4-phenyl-4-(trifluoromethyl)pyrrolidine-3-carboxylate CAS Name: (3S,4R)-4-phenyl-1-(phenylmethyl)-4-(trifluoromethyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R)-1-benzyl-4-phenyl-4-(trifluoromethyl)pyrrolidine-3-carboxylate Traditional Name: (3S,4R)-1-benzyl-4-phenyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C21H22F3NO2 MolecularWeight: 377.40009

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CC1(C2=CC=CC=C2)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1CN(C[C@@]1(C2=CC=CC=C2)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C21H22F3NO2/c1-2-27-19(26)18-14-25(13-16-9-5-3-6-10-16)15-20(18,21(22,23)24)17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3/t18-,20-/m0/s1