3-phenoxybenzaldehyde; [2-(trifluoromethyl)phenyl]methanamine

Systemtic Name: 3-phenoxybenzaldehyde; [2-(trifluoromethyl)phenyl]methanamine Openeye Name: 3-phenoxybenzaldehyde; [2-(trifluoromethyl)phenyl]methanamine CAS Name: 3-phenoxybenzaldehyde; [2-(trifluoromethyl)phenyl]methanamine IUPAC Name: 3-phenoxybenzaldehyde; [2-(trifluoromethyl)phenyl]methanamine Traditional Name: 3-phenoxybenzaldehyde; [2-(trifluoromethyl)benzyl]amine Formula: C21H18F3NO2 MolecularWeight: 373.36833

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10O2.C8H8F3N/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12;9-8(10,11)7-4-2-1-3-6(7)5-12/h1-10H;1-4H,5,12H2