2-[(4-ethynyl-2-methyl-phenyl)amino]-4-fluoranyl-benzoic acid

Systemtic Name: 2-[(4-ethynyl-2-methyl-phenyl)amino]-4-fluoranyl-benzoic acid Openeye Name: 2-(4-ethynyl-2-methyl-anilino)-4-fluoro-benzoic acid CAS Name: 2-(4-ethynyl-2-methylanilino)-4-fluorobenzoic acid IUPAC Name: 2-(4-ethynyl-2-methylanilino)-4-fluorobenzoic acid Traditional Name: 2-(4-ethynyl-2-methyl-anilino)-4-fluoro-benzoic acid Formula: C16H12FNO2 MolecularWeight: 269.270383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12FNO2/c1-3-11-4-7-14(10(2)8-11)18-15-9-12(17)5-6-13(15)16(19)20/h1,4-9,18H,2H3,(H,19,20)