4-[1-(2-methylphenyl)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[1-(2-methylphenyl)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-(o-tolyl)ethylamino]-4-oxo-butanoic acid CAS Name: 4-[1-(2-methylphenyl)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[1-(2-methylphenyl)ethylamino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[1-(o-tolyl)ethylamino]butyric acid Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C)NC(=O)CCC(=O)O

InChI

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