4-[2-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(3-chloro-5-ethoxy-4-hydroxy-phenyl)ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-(3-chloro-5-ethoxy-4-hydroxy-phenyl)ethylamino]-4-keto-butyric acid Formula: C14H18ClNO5 MolecularWeight: 315.74942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClNO5/c1-2-21-11-8-9(7-10(15)14(11)20)5-6-16-12(17)3-4-13(18)19/h7-8,20H,2-6H2,1H3,(H,16,17)(H,18,19)