5-iodanyl-2-(2-methylphenyl)-4-(pyridin-3-yloxymethyl)benzoic acid

Systemtic Name: 5-iodanyl-2-(2-methylphenyl)-4-(pyridin-3-yloxymethyl)benzoic acid Openeye Name: 5-iodo-2-(o-tolyl)-4-(3-pyridyloxymethyl)benzoic acid CAS Name: 5-iodo-2-(2-methylphenyl)-4-(3-pyridinyloxymethyl)benzoic acid IUPAC Name: 5-iodo-2-(2-methylphenyl)-4-(pyridin-3-yloxymethyl)benzoic acid Traditional Name: 5-iodo-2-(o-tolyl)-4-(3-pyridyloxymethyl)benzoic acid Formula: C20H16INO3 MolecularWeight: 445.25041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16INO3/c1-13-5-2-3-7-16(13)17-9-14(19(21)10-18(17)20(23)24)12-25-15-6-4-8-22-11-15/h2-11H,12H2,1H3,(H,23,24)