9H-fluoren-9-ylmethyl N-[4-bromanyl-1-(dioctadecylamino)-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[4-bromanyl-1-(dioctadecylamino)-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[3-bromo-1-(dioctadecylcarbamoyl)propyl]carbamate CAS Name: N-[4-bromo-1-(dioctadecylamino)-1-oxobutan-2-yl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[4-bromo-1-(dioctadecylamino)-1-oxobutan-2-yl]carbamate Traditional Name: N-[3-bromo-1-(distearylcarbamoyl)propyl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C55H91BrN2O3 MolecularWeight: 908.22664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C(CCBr)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C(CCBr)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChI

InChI=1S/C55H91BrN2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-45-58(46-38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)54(59)53(43-44-56)57-55(60)61-47-52-50-41-35-33-39-48(50)49-40-34-36-42-51(49)52/h33-36,39-42,52-53H,3-32,37-38,43-47H2,1-2H3,(H,57,60)