2-[carboxymethyl-[3-octadecoxy-5-(quinolin-2-ylmethoxy)phenyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[3-octadecoxy-5-(quinolin-2-ylmethoxy)phenyl]amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-3-octadecoxy-5-(2-quinolylmethoxy)anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-3-octadecoxy-5-(2-quinolinylmethoxy)anilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-3-octadecoxy-5-(quinolin-2-ylmethoxy)anilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-3-(2-quinolylmethoxy)-5-stearyloxy-anilino]acetic acid Formula: C38H54N2O6 MolecularWeight: 634.84516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)OCC2=NC3=CC=CC=C3C=C2)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)OCC2=NC3=CC=CC=C3C=C2)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C38H54N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-45-34-25-33(40(28-37(41)42)29-38(43)44)26-35(27-34)46-30-32-23-22-31-20-17-18-21-36(31)39-32/h17-18,20-23,25-27H,2-16,19,24,28-30H2,1H3,(H,41,42)(H,43,44)