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

Systemtic Name: 2-[carboxymethyl-(3-nonanoyloxy-5-octadecoxy-phenyl)amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-3-nonanoyloxy-5-octadecoxy-anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-3-octadecoxy-5-(1-oxononoxy)anilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-3-nonanoyloxy-5-octadecoxyanilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-3-pelargonyloxy-5-stearyloxy-anilino]acetic acid Formula: C37H63NO7 MolecularWeight: 633.89862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H63NO7/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-44-33-27-32(38(30-35(39)40)31-36(41)42)28-34(29-33)45-37(43)25-23-21-10-8-6-4-2/h27-29H,3-26,30-31H2,1-2H3,(H,39,40)(H,41,42)