4-[[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]methyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]methyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]methyl]-3-fluoro-benzonitrile CAS Name: 4-[[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]methyl]-3-fluorobenzonitrile IUPAC Name: 4-[[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]methyl]-3-fluorobenzonitrile Traditional Name: 4-[[(4-ethoxy-3-methoxy-benzyl)-ethyl-amino]methyl]-3-fluoro-benzonitrile Formula: C20H23FN2O2 MolecularWeight: 342.407223

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OCC)OC)CC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OCC)OC)CC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C20H23FN2O2/c1-4-23(14-17-8-6-15(12-22)10-18(17)21)13-16-7-9-19(25-5-2)20(11-16)24-3/h6-11H,4-5,13-14H2,1-3H3