[5-cyano-2-[2-(4-methoxyphenyl)ethyl]-1-benzofuran-3-yl] butanoate

Systemtic Name: [5-cyano-2-[2-(4-methoxyphenyl)ethyl]-1-benzofuran-3-yl] butanoate Openeye Name: [5-cyano-2-[2-(4-methoxyphenyl)ethyl]benzofuran-3-yl] butanoate CAS Name: butanoic acid [5-cyano-2-[2-(4-methoxyphenyl)ethyl]-3-benzofuranyl] ester IUPAC Name: [5-cyano-2-[2-(4-methoxyphenyl)ethyl]-1-benzofuran-3-yl] butanoate Traditional Name: butyric acid [5-cyano-2-[2-(4-methoxyphenyl)ethyl]benzofuran-3-yl] ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(OC2=C1C=C(C=C2)C#N)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CCCC(=O)OC1=C(OC2=C1C=C(C=C2)C#N)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H21NO4/c1-3-4-21(24)27-22-18-13-16(14-23)8-11-19(18)26-20(22)12-7-15-5-9-17(25-2)10-6-15/h5-6,8-11,13H,3-4,7,12H2,1-2H3