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

Systemtic Name: (2,2-dimethyl-3-oxidanyl-propyl) (3S,5S)-1-phenylmethoxy-5-pyridin-3-yl-pyrrolidine-3-carboxylate Openeye Name: (3-hydroxy-2,2-dimethyl-propyl) (3S,5S)-1-benzyloxy-5-(3-pyridyl)pyrrolidine-3-carboxylate CAS Name: (3S,5S)-1-phenylmethoxy-5-(3-pyridinyl)-3-pyrrolidinecarboxylic acid (3-hydroxy-2,2-dimethylpropyl) ester IUPAC Name: (3-hydroxy-2,2-dimethylpropyl) (3S,5S)-1-phenylmethoxy-5-pyridin-3-ylpyrrolidine-3-carboxylate Traditional Name: (3S,5S)-1-benzoxy-5-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-22(2,15-25)16-27-21(26)19-11-20(18-9-6-10-23-12-18)24(13-19)28-14-17-7-4-3-5-8-17/h3-10,12,19-20,25H,11,13-16H2,1-2H3/t19-,20-/m0/s1