2-fluoranyl-5-[1-(4-methyl-2-oxidanyl-phenyl)ethylamino]benzoic acid

Systemtic Name: 2-fluoranyl-5-[1-(4-methyl-2-oxidanyl-phenyl)ethylamino]benzoic acid Openeye Name: 2-fluoro-5-[1-(2-hydroxy-4-methyl-phenyl)ethylamino]benzoic acid CAS Name: 2-fluoro-5-[1-(2-hydroxy-4-methylphenyl)ethylamino]benzoic acid IUPAC Name: 2-fluoro-5-[1-(2-hydroxy-4-methylphenyl)ethylamino]benzoic acid Traditional Name: 2-fluoro-5-[1-(2-hydroxy-4-methyl-phenyl)ethylamino]benzoic acid Formula: C16H16FNO3 MolecularWeight: 289.301543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)NC2=CC(=C(C=C2)F)C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)NC2=CC(=C(C=C2)F)C(=O)O)O

InChI

InChI=1S/C16H16FNO3/c1-9-3-5-12(15(19)7-9)10(2)18-11-4-6-14(17)13(8-11)16(20)21/h3-8,10,18-19H,1-2H3,(H,20,21)