4-[2-(4-chloranyl-3-methyl-phenoxy)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-(4-chloranyl-3-methyl-phenoxy)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(4-chloro-3-methyl-phenoxy)ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-(4-chloro-3-methylphenoxy)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-(4-chloro-3-methylphenoxy)ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-(4-chloro-3-methyl-phenoxy)ethylamino]-4-keto-butyric acid Formula: C13H16ClNO4 MolecularWeight: 285.72344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO4/c1-9-8-10(2-3-11(9)14)19-7-6-15-12(16)4-5-13(17)18/h2-3,8H,4-7H2,1H3,(H,15,16)(H,17,18)