2-[[4-(2-methylhexanoylamino)phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[4-(2-methylhexanoylamino)phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[4-(2-methylhexanoylamino)benzoyl]amino]benzoic acid CAS Name: 2-[[[4-[(2-methyl-1-oxohexyl)amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-(2-methylhexanoylamino)benzoyl]amino]benzoic acid Traditional Name: 2-[[4-(2-methylhexanoylamino)benzoyl]amino]benzoic acid Formula: C21H24N2O4 MolecularWeight: 368.42626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCC(C)C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C21H24N2O4/c1-3-4-7-14(2)19(24)22-16-12-10-15(11-13-16)20(25)23-18-9-6-5-8-17(18)21(26)27/h5-6,8-14H,3-4,7H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)