4-(3,5-dimethylphenoxy)-5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-3-iodanyl-6-methyl-1H-pyridin-2-one

Systemtic Name: 4-(3,5-dimethylphenoxy)-5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-3-iodanyl-6-methyl-1H-pyridin-2-one Openeye Name: 4-(3,5-dimethylphenoxy)-5-[[4-(hydroxymethyl)-1-piperidyl]methyl]-3-iodo-6-methyl-1H-pyridin-2-one CAS Name: 4-(3,5-dimethylphenoxy)-5-[[4-(hydroxymethyl)-1-piperidinyl]methyl]-3-iodo-6-methyl-1H-pyridin-2-one IUPAC Name: 4-(3,5-dimethylphenoxy)-5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-3-iodo-6-methyl-1H-pyridin-2-one Traditional Name: 4-(3,5-dimethylphenoxy)-3-iodo-6-methyl-5-[(4-methylolpiperidino)methyl]-2-pyridone Formula: C21H27IN2O3 MolecularWeight: 482.35515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(C(=O)NC(=C2CN3CCC(CC3)CO)C)I)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(C(=O)NC(=C2CN3CCC(CC3)CO)C)I)C

InChI

InChI=1S/C21H27IN2O3/c1-13-8-14(2)10-17(9-13)27-20-18(15(3)23-21(26)19(20)22)11-24-6-4-16(12-25)5-7-24/h8-10,16,25H,4-7,11-12H2,1-3H3,(H,23,26)