4-[(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3-chloro-5-ethoxy-4-hydroxy-phenyl)methylamino]-4-oxo-butanoic acid CAS Name: 4-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-[(3-chloro-5-ethoxy-4-hydroxy-benzyl)amino]-4-keto-butyric acid Formula: C13H16ClNO5 MolecularWeight: 301.72284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC(=O)CCC(=O)O)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC(=O)CCC(=O)O)Cl)O

InChI

InChI=1S/C13H16ClNO5/c1-2-20-10-6-8(5-9(14)13(10)19)7-15-11(16)3-4-12(17)18/h5-6,19H,2-4,7H2,1H3,(H,15,16)(H,17,18)