4-[(5-chloranyl-2-oxidanyl-phenyl)methylamino]-5-fluoranyl-pentanoic acid

Systemtic Name: 4-[(5-chloranyl-2-oxidanyl-phenyl)methylamino]-5-fluoranyl-pentanoic acid Openeye Name: 4-[(5-chloro-2-hydroxy-phenyl)methylamino]-5-fluoro-pentanoic acid CAS Name: 4-[(5-chloro-2-hydroxyphenyl)methylamino]-5-fluoropentanoic acid IUPAC Name: 4-[(5-chloro-2-hydroxyphenyl)methylamino]-5-fluoropentanoic acid Traditional Name: 4-[(5-chloro-2-hydroxy-benzyl)amino]-5-fluoro-valeric acid Formula: C12H15ClFNO3 MolecularWeight: 275.703803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)CNC(CCC(=O)O)CF)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)CNC(CCC(=O)O)CF)O

InChI

InChI=1S/C12H15ClFNO3/c13-9-1-3-11(16)8(5-9)7-15-10(6-14)2-4-12(17)18/h1,3,5,10,15-16H,2,4,6-7H2,(H,17,18)