2-[carboxymethyl-[3-(2-naphthalen-2-yloxyethoxy)-5-octadecoxy-phenyl]carbonyl-amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[3-(2-naphthalen-2-yloxyethoxy)-5-octadecoxy-phenyl]carbonyl-amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[3-[2-(2-naphthyloxy)ethoxy]-5-octadecoxy-benzoyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[[3-[2-(2-naphthalenyloxy)ethoxy]-5-octadecoxyphenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[3-(2-naphthalen-2-yloxyethoxy)-5-octadecoxybenzoyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[3-[2-(2-naphthoxy)ethoxy]-5-stearyloxy-benzoyl]amino]acetic acid Formula: C41H57NO8 MolecularWeight: 691.89318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)N(CC(=O)O)CC(=O)O)OCCOC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)N(CC(=O)O)CC(=O)O)OCCOC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C41H57NO8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-48-37-28-35(41(47)42(31-39(43)44)32-40(45)46)29-38(30-37)50-26-25-49-36-23-22-33-20-17-18-21-34(33)27-36/h17-18,20-23,27-30H,2-16,19,24-26,31-32H2,1H3,(H,43,44)(H,45,46)