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

Systemtic Name: 2-[carboxymethyl-[3-octadecoxy-5-(3-phenoxypropoxy)phenyl]amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-3-octadecoxy-5-(3-phenoxypropoxy)anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-3-octadecoxy-5-(3-phenoxypropoxy)anilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-3-octadecoxy-5-(3-phenoxypropoxy)anilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-3-(3-phenoxypropoxy)-5-stearyloxy-anilino]acetic acid Formula: C37H57NO7 MolecularWeight: 627.85098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)N(CC(=O)O)CC(=O)O)OCCCOC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)N(CC(=O)O)CC(=O)O)OCCCOC2=CC=CC=C2

InChI

InChI=1S/C37H57NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-44-34-27-32(38(30-36(39)40)31-37(41)42)28-35(29-34)45-26-21-25-43-33-22-18-17-19-23-33/h17-19,22-23,27-29H,2-16,20-21,24-26,30-31H2,1H3,(H,39,40)(H,41,42)