5-[[3-carboxy-4-(dodecanoylamino)phenyl]methyl]-2-(dodecanoylamino)benzoic acid

Systemtic Name: 5-[[3-carboxy-4-(dodecanoylamino)phenyl]methyl]-2-(dodecanoylamino)benzoic acid Openeye Name: 5-[[3-carboxy-4-(dodecanoylamino)phenyl]methyl]-2-(dodecanoylamino)benzoic acid CAS Name: 5-[[3-carboxy-4-(1-oxododecylamino)phenyl]methyl]-2-(1-oxododecylamino)benzoic acid IUPAC Name: 5-[[3-carboxy-4-(dodecanoylamino)phenyl]methyl]-2-(dodecanoylamino)benzoic acid Traditional Name: 5-[3-carboxy-4-(lauroylamino)benzyl]-2-(lauroylamino)benzoic acid Formula: C39H58N2O6 MolecularWeight: 650.88762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=C(C=C(C=C1)CC2=CC(=C(C=C2)NC(=O)CCCCCCCCCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=C(C=C(C=C1)CC2=CC(=C(C=C2)NC(=O)CCCCCCCCCCC)C(=O)O)C(=O)O

InChI

InChI=1S/C39H58N2O6/c1-3-5-7-9-11-13-15-17-19-21-36(42)40-34-25-23-30(28-32(34)38(44)45)27-31-24-26-35(33(29-31)39(46)47)41-37(43)22-20-18-16-14-12-10-8-6-4-2/h23-26,28-29H,3-22,27H2,1-2H3,(H,40,42)(H,41,43)(H,44,45)(H,46,47)