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

Systemtic Name: 3-[(4-carboxyphenyl)methyl-[6-(3,5-didecoxyphenoxy)hexanoyl]amino]benzoic acid Openeye Name: 3-[(4-carboxyphenyl)methyl-[6-(3,5-didecoxyphenoxy)hexanoyl]amino]benzoic acid CAS Name: 3-[(4-carboxyphenyl)methyl-[6-(3,5-didecoxyphenoxy)-1-oxohexyl]amino]benzoic acid IUPAC Name: 3-[(4-carboxyphenyl)methyl-[6-(3,5-didecoxyphenoxy)hexanoyl]amino]benzoic acid Traditional Name: 3-[(4-carboxybenzyl)-[6-(3,5-didecoxyphenoxy)hexanoyl]amino]benzoic acid Formula: C47H67NO8 MolecularWeight: 774.03678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC(=CC(=C1)OCCCCCC(=O)N(CC2=CC=C(C=C2)C(=O)O)C3=CC=CC(=C3)C(=O)O)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCOC1=CC(=CC(=C1)OCCCCCC(=O)N(CC2=CC=C(C=C2)C(=O)O)C3=CC=CC(=C3)C(=O)O)OCCCCCCCCCC

InChI

InChI=1S/C47H67NO8/c1-3-5-7-9-11-13-15-19-30-54-42-34-43(55-31-20-16-14-12-10-8-6-4-2)36-44(35-42)56-32-21-17-18-25-45(49)48(41-24-22-23-40(33-41)47(52)53)37-38-26-28-39(29-27-38)46(50)51/h22-24,26-29,33-36H,3-21,25,30-32,37H2,1-2H3,(H,50,51)(H,52,53)