2-[4-[(E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]prop-2-enoyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-1-oxoprop-2-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]acryloyl]phenoxy]acetonitrile Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO4/c1-3-25-21-14-18-12-15(2)27-22(18)13-17(21)6-9-20(24)16-4-7-19(8-5-16)26-11-10-23/h4-9,13-15H,3,11-12H2,1-2H3/b9-6+/t15-/m0/s1