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

Systemtic Name: 2-[carboxymethyl-[3-octadecoxy-5-(3-phenoxypentoxy)phenyl]amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-3-octadecoxy-5-(3-phenoxypentoxy)anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-3-octadecoxy-5-(3-phenoxypentoxy)anilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-3-octadecoxy-5-(3-phenoxypentoxy)anilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-3-(3-phenoxypentoxy)-5-stearyloxy-anilino]acetic acid Formula: C39H61NO7 MolecularWeight: 655.90414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)N(CC(=O)O)CC(=O)O)OCCC(CC)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)N(CC(=O)O)CC(=O)O)OCCC(CC)OC2=CC=CC=C2

InChI

InChI=1S/C39H61NO7/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26-45-36-28-33(40(31-38(41)42)32-39(43)44)29-37(30-36)46-27-25-34(4-2)47-35-23-20-19-21-24-35/h19-21,23-24,28-30,34H,3-18,22,25-27,31-32H2,1-2H3,(H,41,42)(H,43,44)