[1-[2-(methylamino)ethoxy-oxidanyl-phosphanyl]oxy-3-(3-tridecoxyphenyl)propan-2-yl] propanoate

Systemtic Name: [1-[2-(methylamino)ethoxy-oxidanyl-phosphanyl]oxy-3-(3-tridecoxyphenyl)propan-2-yl] propanoate Openeye Name: [1-[[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxymethyl]-2-(3-tridecoxyphenyl)ethyl] propanoate CAS Name: propanoic acid [1-[hydroxy-[2-(methylamino)ethoxy]phosphino]oxy-3-(3-tridecoxyphenyl)propan-2-yl] ester IUPAC Name: [1-[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxy-3-(3-tridecoxyphenyl)propan-2-yl] propanoate Traditional Name: propionic acid [1-[[hydroxy-[2-(methylamino)ethoxy]phosphino]oxymethyl]-2-(3-tridecoxyphenyl)ethyl] ester Formula: C28H50NO6P MolecularWeight: 527.673461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC=CC(=C1)CC(COP(O)OCCNC)OC(=O)CC

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC=CC(=C1)CC(COP(O)OCCNC)OC(=O)CC

InChI

InChI=1S/C28H50NO6P/c1-4-6-7-8-9-10-11-12-13-14-15-20-32-26-18-16-17-25(22-26)23-27(35-28(30)5-2)24-34-36(31)33-21-19-29-3/h16-18,22,27,29,31H,4-15,19-21,23-24H2,1-3H3