2-[(3,5-dimethylphenyl)methyl-(2-oxidanylidenepropyl)amino]ethanoic acid

Systemtic Name: 2-[(3,5-dimethylphenyl)methyl-(2-oxidanylidenepropyl)amino]ethanoic acid Openeye Name: 2-[acetonyl-[(3,5-dimethylphenyl)methyl]amino]acetic acid CAS Name: 2-[(3,5-dimethylphenyl)methyl-(2-oxopropyl)amino]acetic acid IUPAC Name: 2-[(3,5-dimethylphenyl)methyl-(2-oxopropyl)amino]acetic acid Traditional Name: 2-[acetonyl-(3,5-dimethylbenzyl)amino]acetic acid Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CN(CC(=O)C)CC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)CN(CC(=O)C)CC(=O)O)C

InChI

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