(E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-(4-fluorophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-(4-fluorophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-2-(4-fluorobenzoyl)prop-2-enenitrile CAS Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-2-[(4-fluorophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-(4-fluorobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]-2-(4-fluorobenzoyl)acrylonitrile Formula: C21H18FNO3 MolecularWeight: 351.370923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=C(C#N)C(=O)C3=CC=C(C=C3)F)OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C(\C#N)/C(=O)C3=CC=C(C=C3)F)O[C@H](C2)C

InChI

InChI=1S/C21H18FNO3/c1-3-25-19-10-15-8-13(2)26-20(15)11-16(19)9-17(12-23)21(24)14-4-6-18(22)7-5-14/h4-7,9-11,13H,3,8H2,1-2H3/b17-9+/t13-/m0/s1