[1-[3-(methylamino)propoxy-oxidanyl-phosphanyl]oxy-3-(2-octadecoxyphenyl)propan-2-yl] propanoate

Systemtic Name: [1-[3-(methylamino)propoxy-oxidanyl-phosphanyl]oxy-3-(2-octadecoxyphenyl)propan-2-yl] propanoate Openeye Name: [1-[[hydroxy-[3-(methylamino)propoxy]phosphanyl]oxymethyl]-2-(2-octadecoxyphenyl)ethyl] propanoate CAS Name: propanoic acid [1-[hydroxy-[3-(methylamino)propoxy]phosphino]oxy-3-(2-octadecoxyphenyl)propan-2-yl] ester IUPAC Name: [1-[hydroxy-[3-(methylamino)propoxy]phosphanyl]oxy-3-(2-octadecoxyphenyl)propan-2-yl] propanoate Traditional Name: propionic acid [1-[[hydroxy-[3-(methylamino)propoxy]phosphino]oxymethyl]-2-(2-stearyloxyphenyl)ethyl] ester Formula: C34H62NO6P MolecularWeight: 611.832941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(COP(O)OCCCNC)OC(=O)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(COP(O)OCCCNC)OC(=O)CC

InChI

InChI=1S/C34H62NO6P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27-38-33-25-21-20-24-31(33)29-32(41-34(36)5-2)30-40-42(37)39-28-23-26-35-3/h20-21,24-25,32,35,37H,4-19,22-23,26-30H2,1-3H3