2-[4-(3,5,5-trimethylhexanoylamino)phenyl]ethanoic acid

Systemtic Name: 2-[4-(3,5,5-trimethylhexanoylamino)phenyl]ethanoic acid Openeye Name: 2-[4-(3,5,5-trimethylhexanoylamino)phenyl]acetic acid CAS Name: 2-[4-[(3,5,5-trimethyl-1-oxohexyl)amino]phenyl]acetic acid IUPAC Name: 2-[4-(3,5,5-trimethylhexanoylamino)phenyl]acetic acid Traditional Name: 2-[4-(3,5,5-trimethylhexanoylamino)phenyl]acetic acid Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3/c1-12(11-17(2,3)4)9-15(19)18-14-7-5-13(6-8-14)10-16(20)21/h5-8,12H,9-11H2,1-4H3,(H,18,19)(H,20,21)