4-[2-(2-methylbutanoylamino)ethyl]benzoic acid

Systemtic Name: 4-[2-(2-methylbutanoylamino)ethyl]benzoic acid Openeye Name: 4-[2-(2-methylbutanoylamino)ethyl]benzoic acid CAS Name: 4-[2-[(2-methyl-1-oxobutyl)amino]ethyl]benzoic acid IUPAC Name: 4-[2-(2-methylbutanoylamino)ethyl]benzoic acid Traditional Name: 4-[2-(2-methylbutanoylamino)ethyl]benzoic acid Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NCCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCC(C)C(=O)NCCC1=CC=C(C=C1)C(=O)O

InChI

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