2-[[5-iodanyl-2-(2-methylphenyl)-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[5-iodanyl-2-(2-methylphenyl)-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[5-iodo-2-(o-tolyl)-4-(3-pyridyloxymethyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[5-iodo-2-(2-methylphenyl)-4-(3-pyridinyloxymethyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[5-iodo-2-(2-methylphenyl)-4-(pyridin-3-yloxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[5-iodo-2-(o-tolyl)-4-(3-pyridyloxymethyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C25H25IN2O4S MolecularWeight: 576.44647

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25IN2O4S/c1-16-6-3-4-8-19(16)20-12-17(15-32-18-7-5-10-27-14-18)22(26)13-21(20)24(29)28-23(25(30)31)9-11-33-2/h3-8,10,12-14,23H,9,11,15H2,1-2H3,(H,28,29)(H,30,31)