4-chloranyl-2-[1-(dimethylamino)pentan-3-yloxy]-5-fluoranyl-benzenecarbonitrile; ethanedioic acid

Systemtic Name: 4-chloranyl-2-[1-(dimethylamino)pentan-3-yloxy]-5-fluoranyl-benzenecarbonitrile; ethanedioic acid Openeye Name: 4-chloro-2-[3-(dimethylamino)-1-ethyl-propoxy]-5-fluoro-benzonitrile; oxalic acid CAS Name: 4-chloro-2-[1-(dimethylamino)pentan-3-yloxy]-5-fluorobenzonitrile; oxalic acid IUPAC Name: 4-chloro-2-[1-(dimethylamino)pentan-3-yloxy]-5-fluorobenzonitrile; oxalic acid Traditional Name: 4-chloro-2-[3-(dimethylamino)-1-ethyl-propoxy]-5-fluoro-benzonitrile; oxalic acid Formula: C16H20ClFN2O5 MolecularWeight: 374.791803

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCN(C)C)OC1=CC(=C(C=C1C#N)F)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CCN(C)C)OC1=CC(=C(C=C1C#N)F)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H18ClFN2O.C2H2O4/c1-4-11(5-6-18(2)3)19-14-8-12(15)13(16)7-10(14)9-17;3-1(4)2(5)6/h7-8,11H,4-6H2,1-3H3;(H,3,4)(H,5,6)