4-methyl-3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoic acid

Systemtic Name: 4-methyl-3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoic acid Openeye Name: 3-[2-(4-isobutylphenyl)propanoylamino]-4-methyl-benzoic acid CAS Name: 4-methyl-3-[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoic acid Traditional Name: 3-[2-(4-isobutylphenyl)propanoylamino]-4-methyl-benzoic acid Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3/c1-13(2)11-16-6-9-17(10-7-16)15(4)20(23)22-19-12-18(21(24)25)8-5-14(19)3/h5-10,12-13,15H,11H2,1-4H3,(H,22,23)(H,24,25)