(2,2-dimethyl-3-oxidanyl-propyl) (3S,5S)-1-phenylmethoxy-5-pyridin-2-yl-pyrrolidine-3-carboxylate

Systemtic Name: (2,2-dimethyl-3-oxidanyl-propyl) (3S,5S)-1-phenylmethoxy-5-pyridin-2-yl-pyrrolidine-3-carboxylate Openeye Name: (3-hydroxy-2,2-dimethyl-propyl) (3S,5S)-1-benzyloxy-5-(2-pyridyl)pyrrolidine-3-carboxylate CAS Name: (3S,5S)-1-phenylmethoxy-5-(2-pyridinyl)-3-pyrrolidinecarboxylic acid (3-hydroxy-2,2-dimethylpropyl) ester IUPAC Name: (3-hydroxy-2,2-dimethylpropyl) (3S,5S)-1-phenylmethoxy-5-pyridin-2-ylpyrrolidine-3-carboxylate Traditional Name: (3S,5S)-1-benzoxy-5-(2-pyridyl)pyrrolidine-3-carboxylic acid (3-hydroxy-2,2-dimethyl-propyl) ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)COC(=O)C1CC(N(C1)OCC2=CC=CC=C2)C3=CC=CC=N3

Isomeric SMILES

CC(C)(CO)COC(=O)[C@H]1C[C@H](N(C1)OCC2=CC=CC=C2)C3=CC=CC=N3

InChI

InChI=1S/C22H28N2O4/c1-22(2,15-25)16-27-21(26)18-12-20(19-10-6-7-11-23-19)24(13-18)28-14-17-8-4-3-5-9-17/h3-11,18,20,25H,12-16H2,1-2H3/t18-,20-/m0/s1