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

Systemtic Name: 2-[carboxymethyl-[5-octadecoxy-2-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]carbonyl-amino]ethanoic acid Openeye Name: 2-[[2-[3-(4-benzyloxyphenoxy)propoxy]-5-octadecoxy-benzoyl]-(carboxymethyl)amino]acetic acid CAS Name: 2-[carboxymethyl-[[5-octadecoxy-2-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[5-octadecoxy-2-[3-(4-phenylmethoxyphenoxy)propoxy]benzoyl]amino]acetic acid Traditional Name: 2-[[2-[3-(4-benzoxyphenoxy)propoxy]-5-stearyloxy-benzoyl]-(carboxymethyl)amino]acetic acid Formula: C45H63NO9 MolecularWeight: 761.98302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C45H63NO9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-30-53-40-28-29-42(41(33-40)45(51)46(34-43(47)48)35-44(49)50)54-32-21-31-52-38-24-26-39(27-25-38)55-36-37-22-18-17-19-23-37/h17-19,22-29,33H,2-16,20-21,30-32,34-36H2,1H3,(H,47,48)(H,49,50)