2-(3-azanyl-1-phenyl-propoxy)-4-(trifluoromethyl)benzenecarbonitrile; ethanedioic acid

Systemtic Name: 2-(3-azanyl-1-phenyl-propoxy)-4-(trifluoromethyl)benzenecarbonitrile; ethanedioic acid Openeye Name: 2-(3-amino-1-phenyl-propoxy)-4-(trifluoromethyl)benzonitrile; oxalic acid CAS Name: 2-(3-amino-1-phenylpropoxy)-4-(trifluoromethyl)benzonitrile; oxalic acid IUPAC Name: 2-(3-amino-1-phenylpropoxy)-4-(trifluoromethyl)benzonitrile; oxalic acid Traditional Name: 2-(3-amino-1-phenyl-propoxy)-4-(trifluoromethyl)benzonitrile; oxalic acid Formula: C19H17F3N2O5 MolecularWeight: 410.34389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15F3N2O.C2H2O4/c18-17(19,20)14-7-6-13(11-22)16(10-14)23-15(8-9-21)12-4-2-1-3-5-12;3-1(4)2(5)6/h1-7,10,15H,8-9,21H2;(H,3,4)(H,5,6)