[1-[3-(methylamino)propoxy-oxidanyl-phosphanyl]oxy-3-(3-tridecoxyphenyl)propan-2-yl] propanoate

Systemtic Name: [1-[3-(methylamino)propoxy-oxidanyl-phosphanyl]oxy-3-(3-tridecoxyphenyl)propan-2-yl] propanoate Openeye Name: [1-[[hydroxy-[3-(methylamino)propoxy]phosphanyl]oxymethyl]-2-(3-tridecoxyphenyl)ethyl] propanoate CAS Name: propanoic acid [1-[hydroxy-[3-(methylamino)propoxy]phosphino]oxy-3-(3-tridecoxyphenyl)propan-2-yl] ester IUPAC Name: [1-[hydroxy-[3-(methylamino)propoxy]phosphanyl]oxy-3-(3-tridecoxyphenyl)propan-2-yl] propanoate Traditional Name: propionic acid [1-[[hydroxy-[3-(methylamino)propoxy]phosphino]oxymethyl]-2-(3-tridecoxyphenyl)ethyl] ester Formula: C29H52NO6P MolecularWeight: 541.700041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC=CC(=C1)CC(COP(O)OCCCNC)OC(=O)CC

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC=CC(=C1)CC(COP(O)OCCCNC)OC(=O)CC

InChI

InChI=1S/C29H52NO6P/c1-4-6-7-8-9-10-11-12-13-14-15-21-33-27-19-16-18-26(23-27)24-28(36-29(31)5-2)25-35-37(32)34-22-17-20-30-3/h16,18-19,23,28,30,32H,4-15,17,20-22,24-25H2,1-3H3