[1-[2-azanylethoxy(prop-2-enoxy)phosphoryl]oxy-2-(tetradecanoylamino)tetradecan-3-yl] dodecanoate

Systemtic Name: [1-[2-azanylethoxy(prop-2-enoxy)phosphoryl]oxy-2-(tetradecanoylamino)tetradecan-3-yl] dodecanoate Openeye Name: 1-[2-[allyloxy(2-aminoethoxy)phosphoryl]oxy-1-(tetradecanoylamino)ethyl]dodecyl dodecanoate CAS Name: dodecanoic acid [1-[2-aminoethoxy(prop-2-enoxy)phosphoryl]oxy-2-(1-oxotetradecylamino)tetradecan-3-yl] ester IUPAC Name: [1-[2-aminoethoxy(prop-2-enoxy)phosphoryl]oxy-2-(tetradecanoylamino)tetradecan-3-yl] dodecanoate Traditional Name: lauric acid 1-[2-[allyloxy(2-aminoethoxy)phosphoryl]oxy-1-(tetradecanoylamino)ethyl]dodecyl ester Formula: C45H89N2O7P MolecularWeight: 801.171121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC(COP(=O)(OCCN)OCC=C)C(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NC(COP(=O)(OCCN)OCC=C)C(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC

InChI

InChI=1S/C45H89N2O7P/c1-5-9-12-15-18-21-22-25-27-30-33-36-44(48)47-42(41-53-55(50,51-39-8-4)52-40-38-46)43(35-32-29-26-23-19-16-13-10-6-2)54-45(49)37-34-31-28-24-20-17-14-11-7-3/h8,42-43H,4-7,9-41,46H2,1-3H3,(H,47,48)