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

Systemtic Name: 4-[(3-carboxyphenyl)-[6-(3,5-didecoxyphenoxy)hexanoyl]amino]phthalic acid Openeye Name: 4-[3-carboxy-N-[6-(3,5-didecoxyphenoxy)hexanoyl]anilino]phthalic acid CAS Name: 4-(3-carboxy-N-[6-(3,5-didecoxyphenoxy)-1-oxohexyl]anilino)phthalic acid IUPAC Name: 4-[3-carboxy-N-[6-(3,5-didecoxyphenoxy)hexanoyl]anilino]phthalic acid Traditional Name: 4-[3-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)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)C(=O)O)C3=CC=CC(=C3)C(=O)O)OCCCCCCCCCC

InChI

InChI=1S/C47H65NO10/c1-3-5-7-9-11-13-15-19-28-56-39-33-40(57-29-20-16-14-12-10-8-6-4-2)35-41(34-39)58-30-21-17-18-25-44(49)48(37-24-22-23-36(31-37)45(50)51)38-26-27-42(46(52)53)43(32-38)47(54)55/h22-24,26-27,31-35H,3-21,25,28-30H2,1-2H3,(H,50,51)(H,52,53)(H,54,55)