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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)(C)CC(=O)NCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C14H19NO3/c1-14(2,3)8-12(16)15-9-10-4-6-11(7-5-10)13(17)18/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18)