tert-butyl (2S,3R)-3-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S,3R)-3-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S,3R)-3-(4-benzyloxyphenyl)pyrrolidine-2-carboxylate CAS Name: (2S,3R)-3-(4-phenylmethoxyphenyl)-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-3-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxylate Traditional Name: (2S,3R)-3-(4-benzoxyphenyl)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(CCN1)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1[C@H](CCN1)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H27NO3/c1-22(2,3)26-21(24)20-19(13-14-23-20)17-9-11-18(12-10-17)25-15-16-7-5-4-6-8-16/h4-12,19-20,23H,13-15H2,1-3H3/t19-,20+/m1/s1