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

Systemtic Name: 2-[carboxymethyl-[3-[3-(3-nitrophenoxy)propoxy]-5-octadecoxy-phenyl]carbonyl-amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[3-[3-(3-nitrophenoxy)propoxy]-5-octadecoxy-benzoyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[[3-[3-(3-nitrophenoxy)propoxy]-5-octadecoxyphenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[3-[3-(3-nitrophenoxy)propoxy]-5-octadecoxybenzoyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[3-[3-(3-nitrophenoxy)propoxy]-5-stearyloxy-benzoyl]amino]acetic acid Formula: C38H56N2O10 MolecularWeight: 700.85864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)N(CC(=O)O)CC(=O)O)OCCCOC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)N(CC(=O)O)CC(=O)O)OCCCOC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C38H56N2O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-49-34-25-31(38(45)39(29-36(41)42)30-37(43)44)26-35(28-34)50-24-19-23-48-33-21-18-20-32(27-33)40(46)47/h18,20-21,25-28H,2-17,19,22-24,29-30H2,1H3,(H,41,42)(H,43,44)