tert-butyl (2R,3R)-3-acetyloxy-2-[(4-prop-2-ynoxyphenyl)methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2R,3R)-3-acetyloxy-2-[(4-prop-2-ynoxyphenyl)methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2R,3R)-3-acetoxy-2-[(4-prop-2-ynoxyphenyl)methyl]pyrrolidine-1-carboxylate CAS Name: (2R,3R)-3-acetyloxy-2-[(4-prop-2-ynoxyphenyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3R)-3-acetyloxy-2-[(4-prop-2-ynoxyphenyl)methyl]pyrrolidine-1-carboxylate Traditional Name: (2R,3R)-3-acetoxy-2-(4-propargyloxybenzyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H27NO5 MolecularWeight: 373.44278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCN(C1CC2=CC=C(C=C2)OCC#C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)O[C@@H]1CCN([C@@H]1CC2=CC=C(C=C2)OCC#C)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H27NO5/c1-6-13-25-17-9-7-16(8-10-17)14-18-19(26-15(2)23)11-12-22(18)20(24)27-21(3,4)5/h1,7-10,18-19H,11-14H2,2-5H3/t18-,19-/m1/s1