5-[4-carboxy-2-[[4-(octadecanoylamino)phenyl]carbonylamino]phenoxy]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[4-carboxy-2-[[4-(octadecanoylamino)phenyl]carbonylamino]phenoxy]benzene-1,3-dicarboxylic acid Openeye Name: 5-[4-carboxy-2-[[4-(octadecanoylamino)benzoyl]amino]phenoxy]benzene-1,3-dicarboxylic acid CAS Name: 5-[4-carboxy-2-[[oxo-[4-(1-oxooctadecylamino)phenyl]methyl]amino]phenoxy]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[4-carboxy-2-[[4-(octadecanoylamino)benzoyl]amino]phenoxy]benzene-1,3-dicarboxylic acid Traditional Name: 5-[4-carboxy-2-[(4-stearamidobenzoyl)amino]phenoxy]isophthalic acid Formula: C40H50N2O9 MolecularWeight: 702.833

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)OC3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)OC3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C40H50N2O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-36(43)41-32-21-18-28(19-22-32)37(44)42-34-27-29(38(45)46)20-23-35(34)51-33-25-30(39(47)48)24-31(26-33)40(49)50/h18-27H,2-17H2,1H3,(H,41,43)(H,42,44)(H,45,46)(H,47,48)(H,49,50)