2-[[(4-fluoranyl-2-methyl-phenyl)amino]methyl]-6-pyrrolidin-1-yl-pyridine-4-carboxylic acid

Systemtic Name: 2-[[(4-fluoranyl-2-methyl-phenyl)amino]methyl]-6-pyrrolidin-1-yl-pyridine-4-carboxylic acid Openeye Name: 2-[(4-fluoro-2-methyl-anilino)methyl]-6-pyrrolidin-1-yl-pyridine-4-carboxylic acid CAS Name: 2-[(4-fluoro-2-methylanilino)methyl]-6-(1-pyrrolidinyl)-4-pyridinecarboxylic acid IUPAC Name: 2-[(4-fluoro-2-methylanilino)methyl]-6-pyrrolidin-1-ylpyridine-4-carboxylic acid Traditional Name: 2-[(4-fluoro-2-methyl-anilino)methyl]-6-pyrrolidino-isonicotinic acid Formula: C18H20FN3O2 MolecularWeight: 329.368703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)NCC2=NC(=CC(=C2)C(=O)O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)F)NCC2=NC(=CC(=C2)C(=O)O)N3CCCC3

InChI

InChI=1S/C18H20FN3O2/c1-12-8-14(19)4-5-16(12)20-11-15-9-13(18(23)24)10-17(21-15)22-6-2-3-7-22/h4-5,8-10,20H,2-3,6-7,11H2,1H3,(H,23,24)