[3,5-bis(trifluoromethyl)phenyl]methanamine; 2-methyl-4-naphthalen-1-yl-pyrimidine-5-carboxylic acid

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]methanamine; 2-methyl-4-naphthalen-1-yl-pyrimidine-5-carboxylic acid Openeye Name: [3,5-bis(trifluoromethyl)phenyl]methanamine; 2-methyl-4-(1-naphthyl)pyrimidine-5-carboxylic acid CAS Name: [3,5-bis(trifluoromethyl)phenyl]methanamine; 2-methyl-4-(1-naphthalenyl)-5-pyrimidinecarboxylic acid IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methanamine; 2-methyl-4-naphthalen-1-ylpyrimidine-5-carboxylic acid Traditional Name: [3,5-bis(trifluoromethyl)benzyl]amine; 2-methyl-4-(1-naphthyl)pyrimidine-5-carboxylic acid Formula: C25H19F6N3O2 MolecularWeight: 507.427679

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C2=CC=CC3=CC=CC=C32)C(=O)O.C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CN

Isomeric SMILES

CC1=NC=C(C(=N1)C2=CC=CC3=CC=CC=C32)C(=O)O.C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CN

InChI

InChI=1S/C16H12N2O2.C9H7F6N/c1-10-17-9-14(16(19)20)15(18-10)13-8-4-6-11-5-2-3-7-12(11)13;10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h2-9H,1H3,(H,19,20);1-3H,4,16H2