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

Systemtic Name: ethyl (3R,4R)-1-(phenylmethyl)-4-propoxy-4-(trifluoromethyl)pyrrolidine-3-carboxylate Openeye Name: ethyl (3R,4R)-1-benzyl-4-propoxy-4-(trifluoromethyl)pyrrolidine-3-carboxylate CAS Name: (3R,4R)-1-(phenylmethyl)-4-propoxy-4-(trifluoromethyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R)-1-benzyl-4-propoxy-4-(trifluoromethyl)pyrrolidine-3-carboxylate Traditional Name: (3R,4R)-1-benzyl-4-propoxy-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C18H24F3NO3 MolecularWeight: 359.38327

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1(CN(CC1C(=O)OCC)CC2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

CCCO[C@]1(CN(C[C@H]1C(=O)OCC)CC2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C18H24F3NO3/c1-3-10-25-17(18(19,20)21)13-22(11-14-8-6-5-7-9-14)12-15(17)16(23)24-4-2/h5-9,15H,3-4,10-13H2,1-2H3/t15-,17-/m0/s1