4-[(4-carboxyphenyl)-[6-(3,5-didecoxyphenoxy)hexyl]amino]benzoic acid

Systemtic Name: 4-[(4-carboxyphenyl)-[6-(3,5-didecoxyphenoxy)hexyl]amino]benzoic acid Openeye Name: 4-[4-carboxy-N-[6-(3,5-didecoxyphenoxy)hexyl]anilino]benzoic acid CAS Name: 4-[4-carboxy-N-[6-(3,5-didecoxyphenoxy)hexyl]anilino]benzoic acid IUPAC Name: 4-[4-carboxy-N-[6-(3,5-didecoxyphenoxy)hexyl]anilino]benzoic acid Traditional Name: 4-[4-carboxy-N-[6-(3,5-didecoxyphenoxy)hexyl]anilino]benzoic acid Formula: C46H67NO7 MolecularWeight: 746.02668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC(=CC(=C1)OCCCCCCN(C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)O)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCOC1=CC(=CC(=C1)OCCCCCCN(C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)O)OCCCCCCCCCC

InChI

InChI=1S/C46H67NO7/c1-3-5-7-9-11-13-16-20-32-52-42-35-43(53-33-21-17-14-12-10-8-6-4-2)37-44(36-42)54-34-22-18-15-19-31-47(40-27-23-38(24-28-40)45(48)49)41-29-25-39(26-30-41)46(50)51/h23-30,35-37H,3-22,31-34H2,1-2H3,(H,48,49)(H,50,51)