2-[2-[4-(3,5-dimethylphenoxy)-5-iodanyl-2-methyl-6-oxidanylidene-1H-pyridin-3-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(3,5-dimethylphenoxy)-5-iodanyl-2-methyl-6-oxidanylidene-1H-pyridin-3-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(3,5-dimethylphenoxy)-5-iodo-2-methyl-6-oxo-1H-pyridin-3-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(3,5-dimethylphenoxy)-5-iodo-2-methyl-6-oxo-1H-pyridin-3-yl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(3,5-dimethylphenoxy)-5-iodo-2-methyl-6-oxo-1H-pyridin-3-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(3,5-dimethylphenoxy)-5-iodo-6-keto-2-methyl-1H-pyridin-3-yl]ethyl]isoindoline-1,3-quinone Formula: C24H21IN2O4 MolecularWeight: 528.33901

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(C(=O)NC(=C2CCN3C(=O)C4=CC=CC=C4C3=O)C)I)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(C(=O)NC(=C2CCN3C(=O)C4=CC=CC=C4C3=O)C)I)C

InChI

InChI=1S/C24H21IN2O4/c1-13-10-14(2)12-16(11-13)31-21-17(15(3)26-22(28)20(21)25)8-9-27-23(29)18-6-4-5-7-19(18)24(27)30/h4-7,10-12H,8-9H2,1-3H3,(H,26,28)