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

Systemtic Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]acrylonitrile Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO3/c1-3-24-19-11-16-9-14(2)25-20(16)12-17(19)10-18(13-22)21(23)15-7-5-4-6-8-15/h4-8,10-12,14H,3,9H2,1-2H3/b18-10+/t14-/m0/s1