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

Systemtic Name: 2-[carboxymethyl-[2-[3-(3-nitrophenoxy)propoxy]-5-octadecoxy-phenyl]carbonyl-amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[2-[3-(3-nitrophenoxy)propoxy]-5-octadecoxy-benzoyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[[2-[3-(3-nitrophenoxy)propoxy]-5-octadecoxyphenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[2-[3-(3-nitrophenoxy)propoxy]-5-octadecoxybenzoyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[2-[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(=C(C=C1)OCCCOC2=CC=CC(=C2)[N+](=O)[O-])C(=O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

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

InChI

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