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

Systemtic Name: 3-[3-[4-(diethylamino)-2-oxidanyl-phenyl]-2-methoxy-5-methyl-phenyl]-3H-2-benzofuran-1-one Openeye Name: 3-[3-[4-(diethylamino)-2-hydroxy-phenyl]-2-methoxy-5-methyl-phenyl]-3H-isobenzofuran-1-one CAS Name: 3-[3-[4-(diethylamino)-2-hydroxyphenyl]-2-methoxy-5-methylphenyl]-3H-isobenzofuran-1-one IUPAC Name: 3-[3-[4-(diethylamino)-2-hydroxyphenyl]-2-methoxy-5-methylphenyl]-3H-2-benzofuran-1-one Traditional Name: 3-[3-[4-(diethylamino)-2-hydroxy-phenyl]-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=CC(=CC(=C2OC)C3C4=CC=CC=C4C(=O)O3)C)O

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C2=CC(=CC(=C2OC)C3C4=CC=CC=C4C(=O)O3)C)O

InChI

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