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

Systemtic Name: 2-[carboxymethyl-[3-[3-(4-methoxyphenoxy)propoxy]-5-octadecoxy-phenyl]carbonyl-amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[3-[3-(4-methoxyphenoxy)propoxy]-5-octadecoxy-benzoyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[[3-[3-(4-methoxyphenoxy)propoxy]-5-octadecoxyphenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[3-[3-(4-methoxyphenoxy)propoxy]-5-octadecoxybenzoyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[3-[3-(4-methoxyphenoxy)propoxy]-5-stearyloxy-benzoyl]amino]acetic acid Formula: C39H59NO9 MolecularWeight: 685.88706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H59NO9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-48-35-27-32(39(45)40(30-37(41)42)31-38(43)44)28-36(29-35)49-26-19-25-47-34-22-20-33(46-2)21-23-34/h20-23,27-29H,3-19,24-26,30-31H2,1-2H3,(H,41,42)(H,43,44)