[4-(azidomethyl)-5-(octadecylcarbamoyloxy)pentan-2-yl] benzoate

Systemtic Name: [4-(azidomethyl)-5-(octadecylcarbamoyloxy)pentan-2-yl] benzoate Openeye Name: [3-(azidomethyl)-1-methyl-4-(octadecylcarbamoyloxy)butyl] benzoate CAS Name: benzoic acid [4-(azidomethyl)-5-[(octadecylamino)-oxomethoxy]pentan-2-yl] ester IUPAC Name: [4-(azidomethyl)-5-(octadecylcarbamoyloxy)pentan-2-yl] benzoate Traditional Name: benzoic acid [3-(azidomethyl)-1-methyl-4-(stearylcarbamoyloxy)butyl] ester Formula: C32H54N4O4 MolecularWeight: 558.79556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(CC(C)OC(=O)C1=CC=CC=C1)CN=[N+]=[N-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(CC(C)OC(=O)C1=CC=CC=C1)CN=[N+]=[N-]

InChI

InChI=1S/C32H54N4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-34-32(38)39-27-29(26-35-36-33)25-28(2)40-31(37)30-22-19-18-20-23-30/h18-20,22-23,28-29H,3-17,21,24-27H2,1-2H3,(H,34,38)