3-iodanyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline

Systemtic Name: 3-iodanyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline Openeye Name: 3-iodo-N-[(2,4,5-trimethoxyphenyl)methyl]aniline CAS Name: 3-iodo-N-[(2,4,5-trimethoxyphenyl)methyl]aniline IUPAC Name: 3-iodo-N-[(2,4,5-trimethoxyphenyl)methyl]aniline Traditional Name: (3-iodophenyl)-(2,4,5-trimethoxybenzyl)amine Formula: C16H18INO3 MolecularWeight: 399.22349

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC2=CC(=CC=C2)I)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC2=CC(=CC=C2)I)OC)OC

InChI

InChI=1S/C16H18INO3/c1-19-14-9-16(21-3)15(20-2)7-11(14)10-18-13-6-4-5-12(17)8-13/h4-9,18H,10H2,1-3H3