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

Systemtic Name: 2-[[3-[3-(2-azanylphenoxy)propoxy]-5-octadecoxy-phenyl]-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[3-[3-(2-aminophenoxy)propoxy]-N-(carboxymethyl)-5-octadecoxy-anilino]acetic acid CAS Name: 2-[3-[3-(2-aminophenoxy)propoxy]-N-(carboxymethyl)-5-octadecoxyanilino]acetic acid IUPAC Name: 2-[3-[3-(2-aminophenoxy)propoxy]-N-(carboxymethyl)-5-octadecoxyanilino]acetic acid Traditional Name: 2-[3-[3-(2-aminophenoxy)propoxy]-N-(carboxymethyl)-5-stearyloxy-anilino]acetic acid Formula: C37H58N2O7 MolecularWeight: 642.86562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)N(CC(=O)O)CC(=O)O)OCCCOC2=CC=CC=C2N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)N(CC(=O)O)CC(=O)O)OCCCOC2=CC=CC=C2N

InChI

InChI=1S/C37H58N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-44-32-26-31(39(29-36(40)41)30-37(42)43)27-33(28-32)45-24-20-25-46-35-22-18-17-21-34(35)38/h17-18,21-22,26-28H,2-16,19-20,23-25,29-30,38H2,1H3,(H,40,41)(H,42,43)