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

Systemtic Name: 4-[[4-(3-methylbutanoylamino)phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[4-(3-methylbutanoylamino)benzoyl]amino]benzoic acid CAS Name: 4-[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[4-(3-methylbutanoylamino)benzoyl]amino]benzoic acid Traditional Name: 4-[[4-(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=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

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

InChI

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