tert-butyl (2S)-2-(3-pyridin-3-ylpropoxymethyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-(3-pyridin-3-ylpropoxymethyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[3-(3-pyridyl)propoxymethyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[3-(3-pyridinyl)propoxymethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(3-pyridin-3-ylpropoxymethyl)pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[3-(3-pyridyl)propoxymethyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1COCCCC2=CN=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1COCCCC2=CN=CC=C2

InChI

InChI=1S/C18H28N2O3/c1-18(2,3)23-17(21)20-11-5-9-16(20)14-22-12-6-8-15-7-4-10-19-13-15/h4,7,10,13,16H,5-6,8-9,11-12,14H2,1-3H3/t16-/m0/s1