(phenylmethyl) N-[3-[2-bromoethyloxy(oxidanyl)phosphoryl]oxypropyl]-N-octadecyl-carbamate

Systemtic Name: (phenylmethyl) N-[3-[2-bromoethyloxy(oxidanyl)phosphoryl]oxypropyl]-N-octadecyl-carbamate Openeye Name: benzyl N-[3-[2-bromoethoxy(hydroxy)phosphoryl]oxypropyl]-N-octadecyl-carbamate CAS Name: N-[3-[2-bromoethoxy(hydroxy)phosphoryl]oxypropyl]-N-octadecylcarbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-[2-bromoethoxy(hydroxy)phosphoryl]oxypropyl]-N-octadecylcarbamate Traditional Name: N-[3-[2-bromoethoxy(hydroxy)phosphoryl]oxypropyl]-N-stearyl-carbamic acid benzyl ester Formula: C31H55BrNO6P MolecularWeight: 648.649261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCOP(=O)(O)OCCBr)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCOP(=O)(O)OCCBr)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C31H55BrNO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-33(26-21-27-38-40(35,36)39-28-24-32)31(34)37-29-30-22-18-17-19-23-30/h17-19,22-23H,2-16,20-21,24-29H2,1H3,(H,35,36)