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

Systemtic Name: 2-[carboxymethyl-[3-[3-(4-methoxyphenoxy)propoxy]-5-octadecoxy-phenyl]amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-3-[3-(4-methoxyphenoxy)propoxy]-5-octadecoxy-anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-3-[3-(4-methoxyphenoxy)propoxy]-5-octadecoxyanilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-3-[3-(4-methoxyphenoxy)propoxy]-5-octadecoxyanilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-3-[3-(4-methoxyphenoxy)propoxy]-5-stearyloxy-anilino]acetic acid Formula: C38H59NO8 MolecularWeight: 657.87696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H59NO8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-46-35-27-32(39(30-37(40)41)31-38(42)43)28-36(29-35)47-26-19-25-45-34-22-20-33(44-2)21-23-34/h20-23,27-29H,3-19,24-26,30-31H2,1-2H3,(H,40,41)(H,42,43)