[5-(4-dodecoxyphenyl)-1-[2-(methylamino)ethoxy-oxidanyl-phosphanyl]oxy-pentan-2-yl] propanoate

Systemtic Name: [5-(4-dodecoxyphenyl)-1-[2-(methylamino)ethoxy-oxidanyl-phosphanyl]oxy-pentan-2-yl] propanoate Openeye Name: [4-(4-dodecoxyphenyl)-1-[[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxymethyl]butyl] propanoate CAS Name: propanoic acid [5-(4-dodecoxyphenyl)-1-[hydroxy-[2-(methylamino)ethoxy]phosphino]oxypentan-2-yl] ester IUPAC Name: [5-(4-dodecoxyphenyl)-1-[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxypentan-2-yl] propanoate Traditional Name: propionic acid [1-[[hydroxy-[2-(methylamino)ethoxy]phosphino]oxymethyl]-4-(4-lauryloxyphenyl)butyl] ester Formula: C29H52NO6P MolecularWeight: 541.700041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H52NO6P/c1-4-6-7-8-9-10-11-12-13-14-23-33-27-20-18-26(19-21-27)16-15-17-28(36-29(31)5-2)25-35-37(32)34-24-22-30-3/h18-21,28,30,32H,4-17,22-25H2,1-3H3