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

Systemtic Name: 2-[[3-methyl-4-(3-methylbutanoylamino)phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]benzoic acid CAS Name: 2-[[[3-methyl-4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]benzoic acid Traditional Name: 2-[[4-(isovalerylamino)-3-methyl-benzoyl]amino]benzoic acid Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)O)NC(=O)CC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)O)NC(=O)CC(C)C

InChI

InChI=1S/C20H22N2O4/c1-12(2)10-18(23)21-16-9-8-14(11-13(16)3)19(24)22-17-7-5-4-6-15(17)20(25)26/h4-9,11-12H,10H2,1-3H3,(H,21,23)(H,22,24)(H,25,26)