2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-6-fluoro-benzonitrile CAS Name: 2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-6-fluorobenzonitrile IUPAC Name: 2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-6-fluorobenzonitrile Traditional Name: 2-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylamino]-6-fluoro-benzonitrile Formula: C19H19FN2O2 MolecularWeight: 326.364763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC3=C(C(=CC=C3)F)C#N

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C19H19FN2O2/c1-3-23-18-8-13-7-12(2)24-19(13)9-14(18)11-22-17-6-4-5-16(20)15(17)10-21/h4-6,8-9,12,22H,3,7,11H2,1-2H3/t12-/m0/s1