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

Systemtic Name: 4-[(4-carboxyphenyl)-[6-(3,5-didecoxyphenoxy)hexanoyl]amino]phthalic acid Openeye Name: 4-[4-carboxy-N-[6-(3,5-didecoxyphenoxy)hexanoyl]anilino]phthalic acid CAS Name: 4-(4-carboxy-N-[6-(3,5-didecoxyphenoxy)-1-oxohexyl]anilino)phthalic acid IUPAC Name: 4-[4-carboxy-N-[6-(3,5-didecoxyphenoxy)hexanoyl]anilino]phthalic acid Traditional Name: 4-[4-carboxy-N-[6-(3,5-didecoxyphenoxy)hexanoyl]anilino]phthalic acid Formula: C47H65NO10 MolecularWeight: 804.0197

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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(=C(C=C3)C(=O)O)C(=O)O)OCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C47H65NO10/c1-3-5-7-9-11-13-15-19-29-56-39-33-40(57-30-20-16-14-12-10-8-6-4-2)35-41(34-39)58-31-21-17-18-22-44(49)48(37-25-23-36(24-26-37)45(50)51)38-27-28-42(46(52)53)43(32-38)47(54)55/h23-28,32-35H,3-22,29-31H2,1-2H3,(H,50,51)(H,52,53)(H,54,55)