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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

InChI

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