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

Systemtic Name: 2-[carboxymethyl-[3-octadecoxy-5-[3-(3-oxidanylphenoxy)propoxy]phenyl]amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-3-[3-(3-hydroxyphenoxy)propoxy]-5-octadecoxy-anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-3-[3-(3-hydroxyphenoxy)propoxy]-5-octadecoxyanilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-3-[3-(3-hydroxyphenoxy)propoxy]-5-octadecoxyanilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-3-[3-(3-hydroxyphenoxy)propoxy]-5-stearyloxy-anilino]acetic acid Formula: C37H57NO8 MolecularWeight: 643.85038

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C37H57NO8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-45-34-25-31(38(29-36(40)41)30-37(42)43)26-35(28-34)46-24-19-23-44-33-21-18-20-32(39)27-33/h18,20-21,25-28,39H,2-17,19,22-24,29-30H2,1H3,(H,40,41)(H,42,43)