3-[4-(diethylamino)-2-oxidanyl-phenyl]-3-(2-methoxy-5-methyl-phenyl)-2-benzofuran-1-one

Systemtic Name: 3-[4-(diethylamino)-2-oxidanyl-phenyl]-3-(2-methoxy-5-methyl-phenyl)-2-benzofuran-1-one Openeye Name: 3-[4-(diethylamino)-2-hydroxy-phenyl]-3-(2-methoxy-5-methyl-phenyl)isobenzofuran-1-one CAS Name: 3-[4-(diethylamino)-2-hydroxyphenyl]-3-(2-methoxy-5-methylphenyl)-1-isobenzofuranone IUPAC Name: 3-[4-(diethylamino)-2-hydroxyphenyl]-3-(2-methoxy-5-methylphenyl)-2-benzofuran-1-one Traditional Name: 3-[4-(diethylamino)-2-hydroxy-phenyl]-3-(2-methoxy-5-methyl-phenyl)phthalide Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=C(C=CC(=C4)C)OC)O

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=C(C=CC(=C4)C)OC)O

InChI

InChI=1S/C26H27NO4/c1-5-27(6-2)18-12-13-21(23(28)16-18)26(22-15-17(3)11-14-24(22)30-4)20-10-8-7-9-19(20)25(29)31-26/h7-16,28H,5-6H2,1-4H3