2-[carboxymethyl-[3-[3-(4-hydroxyphenyl)propoxy]-5-octadecoxy-phenyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[3-[3-(4-hydroxyphenyl)propoxy]-5-octadecoxy-phenyl]amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-3-[3-(4-hydroxyphenyl)propoxy]-5-octadecoxy-anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-3-[3-(4-hydroxyphenyl)propoxy]-5-octadecoxyanilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-3-[3-(4-hydroxyphenyl)propoxy]-5-octadecoxyanilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-3-[3-(4-hydroxyphenyl)propoxy]-5-stearyloxy-anilino]acetic acid Formula: C37H57NO7 MolecularWeight: 627.85098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)OCCCC2=CC=C(C=C2)O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)OCCCC2=CC=C(C=C2)O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C37H57NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-44-34-26-32(38(29-36(40)41)30-37(42)43)27-35(28-34)45-25-18-19-31-20-22-33(39)23-21-31/h20-23,26-28,39H,2-19,24-25,29-30H2,1H3,(H,40,41)(H,42,43)