2-[4-(3-methylbutanoylamino)phenyl]ethanoic acid

Systemtic Name: 2-[4-(3-methylbutanoylamino)phenyl]ethanoic acid Openeye Name: 2-[4-(3-methylbutanoylamino)phenyl]acetic acid CAS Name: 2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]acetic acid IUPAC Name: 2-[4-(3-methylbutanoylamino)phenyl]acetic acid Traditional Name: 2-[4-(isovalerylamino)phenyl]acetic acid Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)CC(=O)O

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)CC(=O)O

InChI

InChI=1S/C13H17NO3/c1-9(2)7-12(15)14-11-5-3-10(4-6-11)8-13(16)17/h3-6,9H,7-8H2,1-2H3,(H,14,15)(H,16,17)