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

Systemtic Name: 3-[(4-carboxyphenyl)-[6-(3,5-didecoxyphenoxy)hexanoyl]amino]benzoic acid Openeye Name: 3-[4-carboxy-N-[6-(3,5-didecoxyphenoxy)hexanoyl]anilino]benzoic acid CAS Name: 3-(4-carboxy-N-[6-(3,5-didecoxyphenoxy)-1-oxohexyl]anilino)benzoic acid IUPAC Name: 3-[4-carboxy-N-[6-(3,5-didecoxyphenoxy)hexanoyl]anilino]benzoic acid Traditional Name: 3-[4-carboxy-N-[6-(3,5-didecoxyphenoxy)hexanoyl]anilino]benzoic acid Formula: C46H65NO8 MolecularWeight: 760.0102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H65NO8/c1-3-5-7-9-11-13-15-19-30-53-41-34-42(54-31-20-16-14-12-10-8-6-4-2)36-43(35-41)55-32-21-17-18-25-44(48)47(39-28-26-37(27-29-39)45(49)50)40-24-22-23-38(33-40)46(51)52/h22-24,26-29,33-36H,3-21,25,30-32H2,1-2H3,(H,49,50)(H,51,52)