2-[3-(2,2-dimethylpentanoylamino)phenyl]ethanoic acid

Systemtic Name: 2-[3-(2,2-dimethylpentanoylamino)phenyl]ethanoic acid Openeye Name: 2-[3-(2,2-dimethylpentanoylamino)phenyl]acetic acid CAS Name: 2-[3-[(2,2-dimethyl-1-oxopentyl)amino]phenyl]acetic acid IUPAC Name: 2-[3-(2,2-dimethylpentanoylamino)phenyl]acetic acid Traditional Name: 2-[3-(2,2-dimethylpentanoylamino)phenyl]acetic acid Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3/c1-4-8-15(2,3)14(19)16-12-7-5-6-11(9-12)10-13(17)18/h5-7,9H,4,8,10H2,1-3H3,(H,16,19)(H,17,18)