[3,5-bis(trifluoromethyl)phenyl]methanamine; 4-phenyl-2-propyl-pyrimidine-5-carboxylic acid

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]methanamine; 4-phenyl-2-propyl-pyrimidine-5-carboxylic acid Openeye Name: [3,5-bis(trifluoromethyl)phenyl]methanamine; 4-phenyl-2-propyl-pyrimidine-5-carboxylic acid CAS Name: [3,5-bis(trifluoromethyl)phenyl]methanamine; 4-phenyl-2-propyl-5-pyrimidinecarboxylic acid IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methanamine; 4-phenyl-2-propylpyrimidine-5-carboxylic acid Traditional Name: [3,5-bis(trifluoromethyl)benzyl]amine; 4-phenyl-2-propyl-pyrimidine-5-carboxylic acid Formula: C23H21F6N3O2 MolecularWeight: 485.422159

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)O.C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CN

Isomeric SMILES

CCCC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)O.C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CN

InChI

InChI=1S/C14H14N2O2.C9H7F6N/c1-2-6-12-15-9-11(14(17)18)13(16-12)10-7-4-3-5-8-10;10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h3-5,7-9H,2,6H2,1H3,(H,17,18);1-3H,4,16H2