4-[2-(3-methylphenoxy)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-(3-methylphenoxy)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(3-methylphenoxy)ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-(3-methylphenoxy)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-(3-methylphenoxy)ethylamino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[2-(3-methylphenoxy)ethylamino]butyric acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)CCC(=O)O

InChI

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