4-chloranyl-5-fluoranyl-2-[3-(methylamino)-1-phenyl-propoxy]benzenecarbonitrile; ethanedioic acid

Systemtic Name: 4-chloranyl-5-fluoranyl-2-[3-(methylamino)-1-phenyl-propoxy]benzenecarbonitrile; ethanedioic acid Openeye Name: 4-chloro-5-fluoro-2-[3-(methylamino)-1-phenyl-propoxy]benzonitrile; oxalic acid CAS Name: 4-chloro-5-fluoro-2-[3-(methylamino)-1-phenylpropoxy]benzonitrile; oxalic acid IUPAC Name: 4-chloro-5-fluoro-2-[3-(methylamino)-1-phenylpropoxy]benzonitrile; oxalic acid Traditional Name: 4-chloro-5-fluoro-2-[3-(methylamino)-1-phenyl-propoxy]benzonitrile; oxalic acid Formula: C19H18ClFN2O5 MolecularWeight: 408.808023

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C1=CC=CC=C1)OC2=CC(=C(C=C2C#N)F)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CNCCC(C1=CC=CC=C1)OC2=CC(=C(C=C2C#N)F)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H16ClFN2O.C2H2O4/c1-21-8-7-16(12-5-3-2-4-6-12)22-17-10-14(18)15(19)9-13(17)11-20;3-1(4)2(5)6/h2-6,9-10,16,21H,7-8H2,1H3;(H,3,4)(H,5,6)