tert-butyl (2R,3R)-3-[(E)-pentadec-1-enyl]-1-(phenylmethyl)aziridine-2-carboxylate

Systemtic Name: tert-butyl (2R,3R)-3-[(E)-pentadec-1-enyl]-1-(phenylmethyl)aziridine-2-carboxylate Openeye Name: tert-butyl (2R,3R)-1-benzyl-3-[(E)-pentadec-1-enyl]aziridine-2-carboxylate CAS Name: (2R,3R)-3-[(E)-pentadec-1-enyl]-1-(phenylmethyl)-2-aziridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3R)-1-benzyl-3-[(E)-pentadec-1-enyl]aziridine-2-carboxylate Traditional Name: (2R,3R)-1-benzyl-3-[(E)-pentadec-1-enyl]ethylenimine-2-carboxylic acid tert-butyl ester Formula: C29H47NO2 MolecularWeight: 441.68898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@@H]1[C@@H](N1CC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H47NO2/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/h17-23,26-27H,5-16,24H2,1-4H3/b23-20+/t26-,27-,30?/m1/s1