3-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethoxy]propanoic acid

Systemtic Name: 3-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethoxy]propanoic acid Openeye Name: 3-[2-oxo-2-(p-tolylmethylamino)ethoxy]propanoic acid CAS Name: 3-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]propanoic acid IUPAC Name: 3-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]propanoic acid Traditional Name: 3-[2-keto-2-[(4-methylbenzyl)amino]ethoxy]propionic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)COCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)COCCC(=O)O

InChI

InChI=1S/C13H17NO4/c1-10-2-4-11(5-3-10)8-14-12(15)9-18-7-6-13(16)17/h2-5H,6-9H2,1H3,(H,14,15)(H,16,17)