4-[[2-(3-methylbutanoylamino)phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[2-(3-methylbutanoylamino)phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[2-(3-methylbutanoylamino)benzoyl]amino]benzoic acid CAS Name: 4-[[[2-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-(3-methylbutanoylamino)benzoyl]amino]benzoic acid Traditional Name: 4-[[2-(isovalerylamino)benzoyl]amino]benzoic acid Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)CC(=O)NC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C19H20N2O4/c1-12(2)11-17(22)21-16-6-4-3-5-15(16)18(23)20-14-9-7-13(8-10-14)19(24)25/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)