methyl 3-(5-cyano-1-benzofuran-2-yl)-2-[4-(oxolan-3-yloxy)phenyl]propanoate

Systemtic Name: methyl 3-(5-cyano-1-benzofuran-2-yl)-2-[4-(oxolan-3-yloxy)phenyl]propanoate Openeye Name: methyl 3-(5-cyanobenzofuran-2-yl)-2-(4-tetrahydrofuran-3-yloxyphenyl)propanoate CAS Name: 3-(5-cyano-2-benzofuranyl)-2-[4-(3-oxolanyloxy)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-(5-cyano-1-benzofuran-2-yl)-2-[4-(oxolan-3-yloxy)phenyl]propanoate Traditional Name: 3-(5-cyanobenzofuran-2-yl)-2-(4-tetrahydrofuran-3-yloxyphenyl)propionic acid methyl ester Formula: C23H21NO5 MolecularWeight: 391.41654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC2=C(O1)C=CC(=C2)C#N)C3=CC=C(C=C3)OC4CCOC4

Isomeric SMILES

COC(=O)C(CC1=CC2=C(O1)C=CC(=C2)C#N)C3=CC=C(C=C3)OC4CCOC4

InChI

InChI=1S/C23H21NO5/c1-26-23(25)21(12-20-11-17-10-15(13-24)2-7-22(17)29-20)16-3-5-18(6-4-16)28-19-8-9-27-14-19/h2-7,10-11,19,21H,8-9,12,14H2,1H3