[1-[2-(methylamino)ethoxy-oxidanyl-phosphanyl]oxy-4-(4-undecoxyphenyl)butan-2-yl] butanoate

Systemtic Name: [1-[2-(methylamino)ethoxy-oxidanyl-phosphanyl]oxy-4-(4-undecoxyphenyl)butan-2-yl] butanoate Openeye Name: [1-[[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxymethyl]-3-(4-undecoxyphenyl)propyl] butanoate CAS Name: butanoic acid [1-[hydroxy-[2-(methylamino)ethoxy]phosphino]oxy-4-(4-undecoxyphenyl)butan-2-yl] ester IUPAC Name: [1-[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxy-4-(4-undecoxyphenyl)butan-2-yl] butanoate Traditional Name: butyric acid [1-[[hydroxy-[2-(methylamino)ethoxy]phosphino]oxymethyl]-3-(4-undecoxyphenyl)propyl] ester Formula: C28H50NO6P MolecularWeight: 527.673461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=C(C=C1)CCC(COP(O)OCCNC)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCOC1=CC=C(C=C1)CCC(COP(O)OCCNC)OC(=O)CCC

InChI

InChI=1S/C28H50NO6P/c1-4-6-7-8-9-10-11-12-13-22-32-26-18-15-25(16-19-26)17-20-27(35-28(30)14-5-2)24-34-36(31)33-23-21-29-3/h15-16,18-19,27,29,31H,4-14,17,20-24H2,1-3H3