3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine; pyridine-3-carboxylic acid

Systemtic Name: 3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine; pyridine-3-carboxylic acid Openeye Name: nicotinic acid; 3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine CAS Name: 3-phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine; 3-pyridinecarboxylic acid IUPAC Name: 3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine; pyridine-3-carboxylic acid Traditional Name: nicotinic acid; [3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amine Formula: C22H21F3N2O3 MolecularWeight: 418.40895

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCN)OC2=CC=C(C=C2)C(F)(F)F.C1=CC(=CN=C1)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CCN)OC2=CC=C(C=C2)C(F)(F)F.C1=CC(=CN=C1)C(=O)O

InChI

InChI=1S/C16H16F3NO.C6H5NO2/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12;8-6(9)5-2-1-3-7-4-5/h1-9,15H,10-11,20H2;1-4H,(H,8,9)