(3Z)-3-[(4-dimethylaminophenyl)methylidene]-5,7-bis(2-methylbutan-2-yl)-1-benzofuran-2-one

Systemtic Name: (3Z)-3-[(4-dimethylaminophenyl)methylidene]-5,7-bis(2-methylbutan-2-yl)-1-benzofuran-2-one Openeye Name: (3Z)-3-[(4-dimethylaminophenyl)methylene]-5,7-bis(1,1-dimethylpropyl)benzofuran-2-one CAS Name: (3Z)-3-[(4-dimethylaminophenyl)methylidene]-5,7-bis(2-methylbutan-2-yl)-2-benzofuranone IUPAC Name: (3Z)-3-[(4-dimethylaminophenyl)methylidene]-5,7-bis(2-methylbutan-2-yl)-1-benzofuran-2-one Traditional Name: (3Z)-5,7-ditert-amyl-3-[4-(dimethylamino)benzylidene]coumaran-2-one Formula: C27H35NO2 MolecularWeight: 405.5723

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C2C(=C1)C(=CC3=CC=C(C=C3)N(C)C)C(=O)O2)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C2C(=C1)/C(=C/C3=CC=C(C=C3)N(C)C)/C(=O)O2)C(C)(C)CC

InChI

InChI=1S/C27H35NO2/c1-9-26(3,4)19-16-21-22(15-18-11-13-20(14-12-18)28(7)8)25(29)30-24(21)23(17-19)27(5,6)10-2/h11-17H,9-10H2,1-8H3/b22-15-