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

Systemtic Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-(2-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-2-(2-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-2-[(2-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-(2-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]-2-o-toluoyl-acrylonitrile Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=C(C#N)C(=O)C3=CC=CC=C3C)OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C(\C#N)/C(=O)C3=CC=CC=C3C)O[C@H](C2)C

InChI

InChI=1S/C22H21NO3/c1-4-25-20-11-16-9-15(3)26-21(16)12-17(20)10-18(13-23)22(24)19-8-6-5-7-14(19)2/h5-8,10-12,15H,4,9H2,1-3H3/b18-10+/t15-/m0/s1