3-[1-(2,5-dimethylphenyl)ethylamino]-4-fluoranyl-benzoic acid

Systemtic Name: 3-[1-(2,5-dimethylphenyl)ethylamino]-4-fluoranyl-benzoic acid Openeye Name: 3-[1-(2,5-dimethylphenyl)ethylamino]-4-fluoro-benzoic acid CAS Name: 3-[1-(2,5-dimethylphenyl)ethylamino]-4-fluorobenzoic acid IUPAC Name: 3-[1-(2,5-dimethylphenyl)ethylamino]-4-fluorobenzoic acid Traditional Name: 3-[1-(2,5-dimethylphenyl)ethylamino]-4-fluoro-benzoic acid Formula: C17H18FNO2 MolecularWeight: 287.328723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18FNO2/c1-10-4-5-11(2)14(8-10)12(3)19-16-9-13(17(20)21)6-7-15(16)18/h4-9,12,19H,1-3H3,(H,20,21)