(3-octadecoxy-2-phenylmethoxy-propyl) 5-pyrrolidin-1-ylpentyl phosphate

Systemtic Name: (3-octadecoxy-2-phenylmethoxy-propyl) 5-pyrrolidin-1-ylpentyl phosphate Openeye Name: (2-benzyloxy-3-octadecoxy-propyl) 5-pyrrolidin-1-ylpentyl phosphate CAS Name: (3-octadecoxy-2-phenylmethoxypropyl) 5-(1-pyrrolidinyl)pentyl phosphate IUPAC Name: (3-octadecoxy-2-phenylmethoxypropyl) 5-pyrrolidin-1-ylpentyl phosphate Traditional Name: (2-benzoxy-3-stearyloxy-propyl) 5-pyrrolidinopentyl phosphate Formula: C37H67NO6P- MolecularWeight: 652.904741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCCCCCN1CCCC1)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCCCCCN1CCCC1)OCC2=CC=CC=C2

InChI

InChI=1S/C37H68NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-31-41-34-37(42-33-36-26-19-17-20-27-36)35-44-45(39,40)43-32-25-18-21-28-38-29-22-23-30-38/h17,19-20,26-27,37H,2-16,18,21-25,28-35H2,1H3,(H,39,40)/p-1