tert-butyl (2S,4R)-2-(3-ethoxy-3-oxidanylidene-propyl)-4-(naphthalen-2-ylmethoxy)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,4R)-2-(3-ethoxy-3-oxidanylidene-propyl)-4-(naphthalen-2-ylmethoxy)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,4R)-2-(3-ethoxy-3-oxo-propyl)-4-(2-naphthylmethoxy)pyrrolidine-1-carboxylate CAS Name: (2S,4R)-2-(3-ethoxy-3-oxopropyl)-4-(2-naphthalenylmethoxy)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4R)-2-(3-ethoxy-3-oxopropyl)-4-(naphthalen-2-ylmethoxy)pyrrolidine-1-carboxylate Traditional Name: (2S,4R)-2-(3-ethoxy-3-keto-propyl)-4-(2-naphthylmethoxy)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1CC(CN1C(=O)OC(C)(C)C)OCC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)CC[C@H]1C[C@H](CN1C(=O)OC(C)(C)C)OCC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C25H33NO5/c1-5-29-23(27)13-12-21-15-22(16-26(21)24(28)31-25(2,3)4)30-17-18-10-11-19-8-6-7-9-20(19)14-18/h6-11,14,21-22H,5,12-13,15-17H2,1-4H3/t21-,22+/m0/s1