2-[[(4-fluoranyl-2-methyl-phenyl)amino]methyl]-6-(2-hydroxyethylamino)pyridine-4-carboxylic acid

Systemtic Name: 2-[[(4-fluoranyl-2-methyl-phenyl)amino]methyl]-6-(2-hydroxyethylamino)pyridine-4-carboxylic acid Openeye Name: 2-[(4-fluoro-2-methyl-anilino)methyl]-6-(2-hydroxyethylamino)pyridine-4-carboxylic acid CAS Name: 2-[(4-fluoro-2-methylanilino)methyl]-6-(2-hydroxyethylamino)-4-pyridinecarboxylic acid IUPAC Name: 2-[(4-fluoro-2-methylanilino)methyl]-6-(2-hydroxyethylamino)pyridine-4-carboxylic acid Traditional Name: 2-[(4-fluoro-2-methyl-anilino)methyl]-6-(2-hydroxyethylamino)isonicotinic acid Formula: C16H18FN3O3 MolecularWeight: 319.330823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)NCC2=NC(=CC(=C2)C(=O)O)NCCO

Isomeric SMILES

CC1=C(C=CC(=C1)F)NCC2=NC(=CC(=C2)C(=O)O)NCCO

InChI

InChI=1S/C16H18FN3O3/c1-10-6-12(17)2-3-14(10)19-9-13-7-11(16(22)23)8-15(20-13)18-4-5-21/h2-3,6-8,19,21H,4-5,9H2,1H3,(H,18,20)(H,22,23)