tert-butyl (2R,3R)-3-pentadec-1-ynyl-1-(phenylmethyl)aziridine-2-carboxylate

Systemtic Name: tert-butyl (2R,3R)-3-pentadec-1-ynyl-1-(phenylmethyl)aziridine-2-carboxylate Openeye Name: tert-butyl (2R,3R)-1-benzyl-3-pentadec-1-ynyl-aziridine-2-carboxylate CAS Name: (2R,3R)-3-pentadec-1-ynyl-1-(phenylmethyl)-2-aziridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3R)-1-benzyl-3-pentadec-1-ynylaziridine-2-carboxylate Traditional Name: (2R,3R)-1-benzyl-3-pentadec-1-ynyl-ethylenimine-2-carboxylic acid tert-butyl ester Formula: C29H45NO2 MolecularWeight: 439.6731

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC#CC1C(N1CC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCC#C[C@@H]1[C@@H](N1CC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H45NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-27(28(31)32-29(2,3)4)30(26)24-25-21-18-17-19-22-25/h17-19,21-22,26-27H,5-16,24H2,1-4H3/t26-,27-,30?/m1/s1