[4-(3-dodecoxyphenyl)-1-[2-(methylamino)ethoxy-oxidanyl-phosphanyl]oxy-butan-2-yl] propanoate

Systemtic Name: [4-(3-dodecoxyphenyl)-1-[2-(methylamino)ethoxy-oxidanyl-phosphanyl]oxy-butan-2-yl] propanoate Openeye Name: [3-(3-dodecoxyphenyl)-1-[[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxymethyl]propyl] propanoate CAS Name: propanoic acid [4-(3-dodecoxyphenyl)-1-[hydroxy-[2-(methylamino)ethoxy]phosphino]oxybutan-2-yl] ester IUPAC Name: [4-(3-dodecoxyphenyl)-1-[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxybutan-2-yl] propanoate Traditional Name: propionic acid [1-[[hydroxy-[2-(methylamino)ethoxy]phosphino]oxymethyl]-3-(3-lauryloxyphenyl)propyl] ester Formula: C28H50NO6P MolecularWeight: 527.673461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=CC(=C1)CCC(COP(O)OCCNC)OC(=O)CC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=CC(=C1)CCC(COP(O)OCCNC)OC(=O)CC

InChI

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