3-[[4-(octanoylamino)phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-[[4-(octanoylamino)phenyl]carbonylamino]benzoic acid Openeye Name: 3-[[4-(octanoylamino)benzoyl]amino]benzoic acid CAS Name: 3-[[oxo-[4-(1-oxooctylamino)phenyl]methyl]amino]benzoic acid IUPAC Name: 3-[[4-(octanoylamino)benzoyl]amino]benzoic acid Traditional Name: 3-[[4-(caprylylamino)benzoyl]amino]benzoic acid Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C22H26N2O4/c1-2-3-4-5-6-10-20(25)23-18-13-11-16(12-14-18)21(26)24-19-9-7-8-17(15-19)22(27)28/h7-9,11-15H,2-6,10H2,1H3,(H,23,25)(H,24,26)(H,27,28)