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

Systemtic Name: (2-cyanophenyl)methyl (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoate Openeye Name: (2-cyanophenyl)methyl (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]prop-2-enoate CAS Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-2-propenoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoate Traditional Name: (E)-3-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]acrylic acid (2-cyanobenzyl) ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=CC(=O)OCC3=CC=CC=C3C#N)OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C/C(=O)OCC3=CC=CC=C3C#N)O[C@H](C2)C

InChI

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