4-[4-[[4-(decanoylamino)phenyl]carbonylamino]phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[[4-(decanoylamino)phenyl]carbonylamino]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[[4-(decanoylamino)benzoyl]amino]phenyl]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[4-[[oxo-[4-(1-oxodecylamino)phenyl]methyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-[[4-(decanoylamino)benzoyl]amino]phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-[[4-(caprylamino)benzoyl]amino]phenyl]-4-keto-butyric acid Formula: C27H34N2O5 MolecularWeight: 466.56926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C27H34N2O5/c1-2-3-4-5-6-7-8-9-25(31)28-22-16-12-21(13-17-22)27(34)29-23-14-10-20(11-15-23)24(30)18-19-26(32)33/h10-17H,2-9,18-19H2,1H3,(H,28,31)(H,29,34)(H,32,33)