3-[1-(3-chloranyl-4-fluoranyl-phenyl)ethylamino]benzoic acid

Systemtic Name: 3-[1-(3-chloranyl-4-fluoranyl-phenyl)ethylamino]benzoic acid Openeye Name: 3-[1-(3-chloro-4-fluoro-phenyl)ethylamino]benzoic acid CAS Name: 3-[1-(3-chloro-4-fluorophenyl)ethylamino]benzoic acid IUPAC Name: 3-[1-(3-chloro-4-fluorophenyl)ethylamino]benzoic acid Traditional Name: 3-[1-(3-chloro-4-fluoro-phenyl)ethylamino]benzoic acid Formula: C15H13ClFNO2 MolecularWeight: 293.720623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)F)Cl)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)F)Cl)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C15H13ClFNO2/c1-9(10-5-6-14(17)13(16)8-10)18-12-4-2-3-11(7-12)15(19)20/h2-9,18H,1H3,(H,19,20)