6-[(4-ethynyl-2-methyl-phenyl)amino]-7-fluoranyl-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 6-[(4-ethynyl-2-methyl-phenyl)amino]-7-fluoranyl-3H-benzimidazole-5-carboxylic acid Openeye Name: 6-(4-ethynyl-2-methyl-anilino)-7-fluoro-3H-benzimidazole-5-carboxylic acid CAS Name: 6-(4-ethynyl-2-methylanilino)-7-fluoro-3H-benzimidazole-5-carboxylic acid IUPAC Name: 6-(4-ethynyl-2-methylanilino)-7-fluoro-3H-benzimidazole-5-carboxylic acid Traditional Name: 6-(4-ethynyl-2-methyl-anilino)-7-fluoro-3H-benzimidazole-5-carboxylic acid Formula: C17H12FN3O2 MolecularWeight: 309.294483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#C)NC2=C(C3=C(C=C2C(=O)O)NC=N3)F

Isomeric SMILES

CC1=C(C=CC(=C1)C#C)NC2=C(C3=C(C=C2C(=O)O)NC=N3)F

InChI

InChI=1S/C17H12FN3O2/c1-3-10-4-5-12(9(2)6-10)21-15-11(17(22)23)7-13-16(14(15)18)20-8-19-13/h1,4-8,21H,2H3,(H,19,20)(H,22,23)