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

Systemtic Name: 2-[carboxymethyl-[3-[3-(3-nitrophenoxy)propoxy]-5-octadecoxy-phenyl]amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-3-[3-(3-nitrophenoxy)propoxy]-5-octadecoxy-anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-3-[3-(3-nitrophenoxy)propoxy]-5-octadecoxyanilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-3-[3-(3-nitrophenoxy)propoxy]-5-octadecoxyanilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-3-[3-(3-nitrophenoxy)propoxy]-5-stearyloxy-anilino]acetic acid Formula: C37H56N2O9 MolecularWeight: 672.84854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H56N2O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-47-34-26-32(38(29-36(40)41)30-37(42)43)27-35(28-34)48-24-19-23-46-33-21-18-20-31(25-33)39(44)45/h18,20-21,25-28H,2-17,19,22-24,29-30H2,1H3,(H,40,41)(H,42,43)