4-(3-carboxyphenoxy)-3-[[4-(octadecanoylamino)phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-(3-carboxyphenoxy)-3-[[4-(octadecanoylamino)phenyl]carbonylamino]benzoic acid Openeye Name: 4-(3-carboxyphenoxy)-3-[[4-(octadecanoylamino)benzoyl]amino]benzoic acid CAS Name: 4-(3-carboxyphenoxy)-3-[[oxo-[4-(1-oxooctadecylamino)phenyl]methyl]amino]benzoic acid IUPAC Name: 4-(3-carboxyphenoxy)-3-[[4-(octadecanoylamino)benzoyl]amino]benzoic acid Traditional Name: 4-(3-carboxyphenoxy)-3-[(4-stearamidobenzoyl)amino]benzoic acid Formula: C39H50N2O7 MolecularWeight: 658.8235

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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

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

InChI

InChI=1S/C39H50N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-36(42)40-32-24-21-29(22-25-32)37(43)41-34-28-31(39(46)47)23-26-35(34)48-33-19-17-18-30(27-33)38(44)45/h17-19,21-28H,2-16,20H2,1H3,(H,40,42)(H,41,43)(H,44,45)(H,46,47)