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

Systemtic Name: [4-(3-dodecoxyphenyl)-1-[2-(methylamino)ethoxy-oxidanyl-phosphanyl]oxy-butan-2-yl] ethanoate Openeye Name: [3-(3-dodecoxyphenyl)-1-[[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxymethyl]propyl] acetate CAS Name: acetic 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] acetate Traditional Name: acetic acid [1-[[hydroxy-[2-(methylamino)ethoxy]phosphino]oxymethyl]-3-(3-lauryloxyphenyl)propyl] ester Formula: C27H48NO6P MolecularWeight: 513.646881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48NO6P/c1-4-5-6-7-8-9-10-11-12-13-20-31-26-16-14-15-25(22-26)17-18-27(34-24(2)29)23-33-35(30)32-21-19-28-3/h14-16,22,27-28,30H,4-13,17-21,23H2,1-3H3