ethyl 2-[2-[2-(5-cyano-1-benzofuran-2-yl)ethyl]-5-oxidanyl-phenyl]ethanoate

Systemtic Name: ethyl 2-[2-[2-(5-cyano-1-benzofuran-2-yl)ethyl]-5-oxidanyl-phenyl]ethanoate Openeye Name: ethyl 2-[2-[2-(5-cyanobenzofuran-2-yl)ethyl]-5-hydroxy-phenyl]acetate CAS Name: 2-[2-[2-(5-cyano-2-benzofuranyl)ethyl]-5-hydroxyphenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(5-cyano-1-benzofuran-2-yl)ethyl]-5-hydroxyphenyl]acetate Traditional Name: 2-[2-[2-(5-cyanobenzofuran-2-yl)ethyl]-5-hydroxy-phenyl]acetic acid ethyl ester Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C=CC(=C1)O)CCC2=CC3=C(O2)C=CC(=C3)C#N

Isomeric SMILES

CCOC(=O)CC1=C(C=CC(=C1)O)CCC2=CC3=C(O2)C=CC(=C3)C#N

InChI

InChI=1S/C21H19NO4/c1-2-25-21(24)12-16-10-18(23)6-4-15(16)5-7-19-11-17-9-14(13-22)3-8-20(17)26-19/h3-4,6,8-11,23H,2,5,7,12H2,1H3