5,6-dimethoxy-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-3-one

Systemtic Name: 5,6-dimethoxy-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-3-one Openeye Name: 5,6-dimethoxy-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzofuran-3-one CAS Name: 5,6-dimethoxy-2-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]-3-benzofuranone IUPAC Name: 5,6-dimethoxy-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzofuran-3-one Traditional Name: 5,6-dimethoxy-2-[4-(pyrrolidinomethyl)benzyl]coumaran-3-one Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)C(O2)CC3=CC=C(C=C3)CN4CCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)C(O2)CC3=CC=C(C=C3)CN4CCCC4)OC

InChI

InChI=1S/C22H25NO4/c1-25-19-12-17-18(13-20(19)26-2)27-21(22(17)24)11-15-5-7-16(8-6-15)14-23-9-3-4-10-23/h5-8,12-13,21H,3-4,9-11,14H2,1-2H3