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

Systemtic Name: 5-[3-carboxy-4-(2-methylpropanoylamino)phenyl]-2-(2-methylpropanoylamino)benzoic acid Openeye Name: 5-[3-carboxy-4-(2-methylpropanoylamino)phenyl]-2-(2-methylpropanoylamino)benzoic acid CAS Name: 5-[3-carboxy-4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-[(2-methyl-1-oxopropyl)amino]benzoic acid IUPAC Name: 5-[3-carboxy-4-(2-methylpropanoylamino)phenyl]-2-(2-methylpropanoylamino)benzoic acid Traditional Name: 5-[3-carboxy-4-(isobutyrylamino)phenyl]-2-(isobutyrylamino)benzoic acid Formula: C22H24N2O6 MolecularWeight: 412.43576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C=C(C=C1)C2=CC(=C(C=C2)NC(=O)C(C)C)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)C(=O)NC1=C(C=C(C=C1)C2=CC(=C(C=C2)NC(=O)C(C)C)C(=O)O)C(=O)O

InChI

InChI=1S/C22H24N2O6/c1-11(2)19(25)23-17-7-5-13(9-15(17)21(27)28)14-6-8-18(16(10-14)22(29)30)24-20(26)12(3)4/h5-12H,1-4H3,(H,23,25)(H,24,26)(H,27,28)(H,29,30)