4-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(4-chloro-3,5-dimethyl-phenoxy)ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-(4-chloro-3,5-dimethylphenoxy)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-(4-chloro-3,5-dimethylphenoxy)ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-(4-chloro-3,5-dimethyl-phenoxy)ethylamino]-4-keto-butyric acid Formula: C14H18ClNO4 MolecularWeight: 299.75002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCCNC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCCNC(=O)CCC(=O)O

InChI

InChI=1S/C14H18ClNO4/c1-9-7-11(8-10(2)14(9)15)20-6-5-16-12(17)3-4-13(18)19/h7-8H,3-6H2,1-2H3,(H,16,17)(H,18,19)