tert-butyl (3S,4R)-4-(3-fluorophenyl)-1-(phenylmethyl)pyrrolidine-3-carboxylate

Systemtic Name: tert-butyl (3S,4R)-4-(3-fluorophenyl)-1-(phenylmethyl)pyrrolidine-3-carboxylate Openeye Name: tert-butyl (3S,4R)-1-benzyl-4-(3-fluorophenyl)pyrrolidine-3-carboxylate CAS Name: (3S,4R)-4-(3-fluorophenyl)-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4R)-1-benzyl-4-(3-fluorophenyl)pyrrolidine-3-carboxylate Traditional Name: (3S,4R)-1-benzyl-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid tert-butyl ester Formula: C22H26FNO2 MolecularWeight: 355.445743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CN(CC1C2=CC(=CC=C2)F)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H26FNO2/c1-22(2,3)26-21(25)20-15-24(13-16-8-5-4-6-9-16)14-19(20)17-10-7-11-18(23)12-17/h4-12,19-20H,13-15H2,1-3H3/t19-,20+/m0/s1