(Z)-3-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-2-(4-methylpiperidin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (Z)-3-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-2-(4-methylpiperidin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (Z)-3-(4-hydroxy-3-iodo-5-methoxy-phenyl)-2-(4-methylpiperidine-1-carbonyl)prop-2-enenitrile CAS Name: (Z)-3-(4-hydroxy-3-iodo-5-methoxyphenyl)-2-[(4-methyl-1-piperidinyl)-oxomethyl]-2-propenenitrile IUPAC Name: (Z)-3-(4-hydroxy-3-iodo-5-methoxyphenyl)-2-(4-methylpiperidine-1-carbonyl)prop-2-enenitrile Traditional Name: (Z)-3-(4-hydroxy-3-iodo-5-methoxy-phenyl)-2-(4-methylpiperidine-1-carbonyl)acrylonitrile Formula: C17H19IN2O3 MolecularWeight: 426.24883

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(=CC2=CC(=C(C(=C2)I)O)OC)C#N

Isomeric SMILES

CC1CCN(CC1)C(=O)/C(=C\C2=CC(=C(C(=C2)I)O)OC)/C#N

InChI

InChI=1S/C17H19IN2O3/c1-11-3-5-20(6-4-11)17(22)13(10-19)7-12-8-14(18)16(21)15(9-12)23-2/h7-9,11,21H,3-6H2,1-2H3/b13-7-