2-[2-iodanyl-6-methoxy-4-[[(phenylmethyl)amino]methyl]phenoxy]ethanenitrile hydrochloride

Systemtic Name: 2-[2-iodanyl-6-methoxy-4-[[(phenylmethyl)amino]methyl]phenoxy]ethanenitrile hydrochloride Openeye Name: 2-[4-[(benzylamino)methyl]-2-iodo-6-methoxy-phenoxy]acetonitrile hydrochloride CAS Name: 2-[2-iodo-6-methoxy-4-[[(phenylmethyl)amino]methyl]phenoxy]acetonitrile hydrochloride IUPAC Name: 2-[4-[(benzylamino)methyl]-2-iodo-6-methoxyphenoxy]acetonitrile hydrochloride Traditional Name: 2-[4-[(benzylamino)methyl]-2-iodo-6-methoxy-phenoxy]acetonitrile hydrochloride Formula: C17H18ClIN2O2 MolecularWeight: 444.69449

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCC2=CC=CC=C2)I)OCC#N.Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCC2=CC=CC=C2)I)OCC#N.Cl

InChI

InChI=1S/C17H17IN2O2.ClH/c1-21-16-10-14(9-15(18)17(16)22-8-7-19)12-20-11-13-5-3-2-4-6-13;/h2-6,9-10,20H,8,11-12H2,1H3;1H