2-[carboxymethyl-[3-octadecoxy-4-(3-phenoxypentoxy)phenyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[3-octadecoxy-4-(3-phenoxypentoxy)phenyl]amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-3-octadecoxy-4-(3-phenoxypentoxy)anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-3-octadecoxy-4-(3-phenoxypentoxy)anilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-3-octadecoxy-4-(3-phenoxypentoxy)anilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-4-(3-phenoxypentoxy)-3-stearyloxy-anilino]acetic acid Formula: C39H61NO7 MolecularWeight: 655.90414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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