(2,2-dimethyl-3-oxidanyl-propyl) (3S,5S)-5-(4-chlorophenyl)-1-phenylmethoxy-pyrrolidine-3-carboxylate

Systemtic Name: (2,2-dimethyl-3-oxidanyl-propyl) (3S,5S)-5-(4-chlorophenyl)-1-phenylmethoxy-pyrrolidine-3-carboxylate Openeye Name: (3-hydroxy-2,2-dimethyl-propyl) (3S,5S)-1-benzyloxy-5-(4-chlorophenyl)pyrrolidine-3-carboxylate CAS Name: (3S,5S)-5-(4-chlorophenyl)-1-phenylmethoxy-3-pyrrolidinecarboxylic acid (3-hydroxy-2,2-dimethylpropyl) ester IUPAC Name: (3-hydroxy-2,2-dimethylpropyl) (3S,5S)-5-(4-chlorophenyl)-1-phenylmethoxypyrrolidine-3-carboxylate Traditional Name: (3S,5S)-1-benzoxy-5-(4-chlorophenyl)pyrrolidine-3-carboxylic acid (3-hydroxy-2,2-dimethyl-propyl) ester Formula: C23H28ClNO4 MolecularWeight: 417.92572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClNO4/c1-23(2,15-26)16-28-22(27)19-12-21(18-8-10-20(24)11-9-18)25(13-19)29-14-17-6-4-3-5-7-17/h3-11,19,21,26H,12-16H2,1-2H3/t19-,21-/m0/s1