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

Systemtic Name: 2-[carboxymethyl-(3-octadecoxy-5-undecanoyloxy-phenyl)amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-3-octadecoxy-5-undecanoyloxy-anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-3-octadecoxy-5-(1-oxoundecoxy)anilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-3-octadecoxy-5-undecanoyloxyanilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-3-stearyloxy-5-undecanoyloxy-anilino]acetic acid Formula: C39H67NO7 MolecularWeight: 661.95178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)OC(=O)CCCCCCCCCC)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)OC(=O)CCCCCCCCCC)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C39H67NO7/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-46-35-29-34(40(32-37(41)42)33-38(43)44)30-36(31-35)47-39(45)27-25-23-21-12-10-8-6-4-2/h29-31H,3-28,32-33H2,1-2H3,(H,41,42)(H,43,44)