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

Systemtic Name: 2-[carboxymethyl-[3-[3-(2-nitrophenoxy)propoxy]-5-octadecoxy-phenyl]amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-3-[3-(2-nitrophenoxy)propoxy]-5-octadecoxy-anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-3-[3-(2-nitrophenoxy)propoxy]-5-octadecoxyanilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-3-[3-(2-nitrophenoxy)propoxy]-5-octadecoxyanilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-3-[3-(2-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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-46-32-26-31(38(29-36(40)41)30-37(42)43)27-33(28-32)47-24-20-25-48-35-22-18-17-21-34(35)39(44)45/h17-18,21-22,26-28H,2-16,19-20,23-25,29-30H2,1H3,(H,40,41)(H,42,43)