4-[[[3-(trifluoromethyl)pyridin-2-yl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[3-(trifluoromethyl)pyridin-2-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[3-(trifluoromethyl)-2-pyridyl]amino]methyl]benzoic acid CAS Name: 4-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-(trifluoromethyl)pyridin-2-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-(trifluoromethyl)-2-pyridyl]amino]methyl]benzoic acid Formula: C14H11F3N2O2 MolecularWeight: 296.24455

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)NCC2=CC=C(C=C2)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=C(N=C1)NCC2=CC=C(C=C2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C14H11F3N2O2/c15-14(16,17)11-2-1-7-18-12(11)19-8-9-3-5-10(6-4-9)13(20)21/h1-7H,8H2,(H,18,19)(H,20,21)