4-(2-methylphenyl)-5-oxidanylidene-2-pyridin-3-ylcarbonyloxy-pentanoic acid

Systemtic Name: 4-(2-methylphenyl)-5-oxidanylidene-2-pyridin-3-ylcarbonyloxy-pentanoic acid Openeye Name: 4-(o-tolyl)-5-oxo-2-(pyridine-3-carbonyloxy)pentanoic acid CAS Name: 4-(2-methylphenyl)-5-oxo-2-[oxo(3-pyridinyl)methoxy]pentanoic acid IUPAC Name: 4-(2-methylphenyl)-5-oxo-2-(pyridine-3-carbonyloxy)pentanoic acid Traditional Name: 5-keto-2-nicotinoyloxy-4-(o-tolyl)valeric acid Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(C(=O)O)OC(=O)C2=CN=CC=C2)C=O

Isomeric SMILES

CC1=CC=CC=C1C(CC(C(=O)O)OC(=O)C2=CN=CC=C2)C=O

InChI

InChI=1S/C18H17NO5/c1-12-5-2-3-7-15(12)14(11-20)9-16(17(21)22)24-18(23)13-6-4-8-19-10-13/h2-8,10-11,14,16H,9H2,1H3,(H,21,22)