2-[carboxymethyl-[2-(3-diethoxyphosphorylpropoxy)-5-octadecoxy-phenyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[2-(3-diethoxyphosphorylpropoxy)-5-octadecoxy-phenyl]amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-2-(3-diethoxyphosphorylpropoxy)-5-octadecoxy-anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-2-(3-diethoxyphosphorylpropoxy)-5-octadecoxyanilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-2-(3-diethoxyphosphorylpropoxy)-5-octadecoxyanilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-2-(3-diethoxyphosphorylpropoxy)-5-stearyloxy-anilino]acetic acid Formula: C35H62NO9P MolecularWeight: 671.841841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCCCP(=O)(OCC)OCC)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCCCP(=O)(OCC)OCC)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C35H62NO9P/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-42-31-23-24-33(32(28-31)36(29-34(37)38)30-35(39)40)43-26-22-27-46(41,44-5-2)45-6-3/h23-24,28H,4-22,25-27,29-30H2,1-3H3,(H,37,38)(H,39,40)