2-(3-cyclopentyloxy-4-methoxy-phenyl)-4-iodanyl-2-(2-iodanylethyl)butanenitrile

Systemtic Name: 2-(3-cyclopentyloxy-4-methoxy-phenyl)-4-iodanyl-2-(2-iodanylethyl)butanenitrile Openeye Name: 2-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-iodo-2-(2-iodoethyl)butanenitrile CAS Name: 2-(3-cyclopentyloxy-4-methoxyphenyl)-4-iodo-2-(2-iodoethyl)butanenitrile IUPAC Name: 2-(3-cyclopentyloxy-4-methoxyphenyl)-4-iodo-2-(2-iodoethyl)butanenitrile Traditional Name: 2-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-iodo-2-(2-iodoethyl)butyronitrile Formula: C18H23I2NO2 MolecularWeight: 539.18966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCI)(CCI)C#N)OC2CCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)C(CCI)(CCI)C#N)OC2CCCC2

InChI

InChI=1S/C18H23I2NO2/c1-22-16-7-6-14(18(13-21,8-10-19)9-11-20)12-17(16)23-15-4-2-3-5-15/h6-7,12,15H,2-5,8-11H2,1H3