tert-butyl (2S)-2-(1-pyridin-2-yloct-5-yn-3-yloxymethyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-(1-pyridin-2-yloct-5-yn-3-yloxymethyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[1-[2-(2-pyridyl)ethyl]hex-3-ynoxymethyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[1-(2-pyridinyl)oct-5-yn-3-yloxymethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(1-pyridin-2-yloct-5-yn-3-yloxymethyl)pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[1-[2-(2-pyridyl)ethyl]hex-3-ynoxymethyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C23H34N2O3 MolecularWeight: 386.52766

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCC(CCC1=CC=CC=N1)OCC2CCCN2C(=O)OC(C)(C)C

Isomeric SMILES

CCC#CCC(CCC1=CC=CC=N1)OC[C@@H]2CCCN2C(=O)OC(C)(C)C

InChI

InChI=1S/C23H34N2O3/c1-5-6-7-13-21(15-14-19-11-8-9-16-24-19)27-18-20-12-10-17-25(20)22(26)28-23(2,3)4/h8-9,11,16,20-21H,5,10,12-15,17-18H2,1-4H3/t20-,21?/m0/s1