4-(3,3-dimethylbutanoylamino)-3-methyl-benzoic acid

Systemtic Name: 4-(3,3-dimethylbutanoylamino)-3-methyl-benzoic acid Openeye Name: 4-(3,3-dimethylbutanoylamino)-3-methyl-benzoic acid CAS Name: 4-[(3,3-dimethyl-1-oxobutyl)amino]-3-methylbenzoic acid IUPAC Name: 4-(3,3-dimethylbutanoylamino)-3-methylbenzoic acid Traditional Name: 4-(3,3-dimethylbutanoylamino)-3-methyl-benzoic acid Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3/c1-9-7-10(13(17)18)5-6-11(9)15-12(16)8-14(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)(H,17,18)