5-[1-(2-methylphenyl)ethylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[1-(2-methylphenyl)ethylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[1-(o-tolyl)ethylamino]-5-oxo-pentanoic acid CAS Name: 5-[1-(2-methylphenyl)ethylamino]-5-oxopentanoic acid IUPAC Name: 5-[1-(2-methylphenyl)ethylamino]-5-oxopentanoic acid Traditional Name: 5-keto-5-[1-(o-tolyl)ethylamino]valeric acid Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3/c1-10-6-3-4-7-12(10)11(2)15-13(16)8-5-9-14(17)18/h3-4,6-7,11H,5,8-9H2,1-2H3,(H,15,16)(H,17,18)