methyl 5-iodanyl-2-(2-methylphenyl)-4-(pyridin-3-yloxymethyl)benzoate

Systemtic Name: methyl 5-iodanyl-2-(2-methylphenyl)-4-(pyridin-3-yloxymethyl)benzoate Openeye Name: methyl 5-iodo-2-(o-tolyl)-4-(3-pyridyloxymethyl)benzoate CAS Name: 5-iodo-2-(2-methylphenyl)-4-(3-pyridinyloxymethyl)benzoic acid methyl ester IUPAC Name: methyl 5-iodo-2-(2-methylphenyl)-4-(pyridin-3-yloxymethyl)benzoate Traditional Name: 5-iodo-2-(o-tolyl)-4-(3-pyridyloxymethyl)benzoic acid methyl ester Formula: C21H18INO3 MolecularWeight: 459.27699

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=C(C=C2C(=O)OC)I)COC3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=C(C=C2C(=O)OC)I)COC3=CN=CC=C3

InChI

InChI=1S/C21H18INO3/c1-14-6-3-4-8-17(14)18-10-15(13-26-16-7-5-9-23-12-16)20(22)11-19(18)21(24)25-2/h3-12H,13H2,1-2H3