2-(aminomethyl)-3-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-6-phenyl-benzoic acid

Systemtic Name: 2-(aminomethyl)-3-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-6-phenyl-benzoic acid Openeye Name: 2-(aminomethyl)-3-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-6-phenyl-benzoic acid CAS Name: 2-(aminomethyl)-3-[6-methyl-2-(trifluoromethyl)-4-pyrimidinyl]-6-phenylbenzoic acid IUPAC Name: 2-(aminomethyl)-3-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-6-phenylbenzoic acid Traditional Name: 2-(aminomethyl)-3-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-6-phenyl-benzoic acid Formula: C20H16F3N3O2 MolecularWeight: 387.35515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=C(C(=C(C=C2)C3=CC=CC=C3)C(=O)O)CN)C(F)(F)F

Isomeric SMILES

CC1=NC(=NC(=C1)C2=C(C(=C(C=C2)C3=CC=CC=C3)C(=O)O)CN)C(F)(F)F

InChI

InChI=1S/C20H16F3N3O2/c1-11-9-16(26-19(25-11)20(21,22)23)14-8-7-13(12-5-3-2-4-6-12)17(18(27)28)15(14)10-24/h2-9H,10,24H2,1H3,(H,27,28)