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

Systemtic Name: 4-(2-methylphenyl)-5-oxidanylidene-2-(pyridin-3-ylmethoxy)pentanoic acid Openeye Name: 4-(o-tolyl)-5-oxo-2-(3-pyridylmethoxy)pentanoic acid CAS Name: 4-(2-methylphenyl)-5-oxo-2-(3-pyridinylmethoxy)pentanoic acid IUPAC Name: 4-(2-methylphenyl)-5-oxo-2-(pyridin-3-ylmethoxy)pentanoic acid Traditional Name: 5-keto-4-(o-tolyl)-2-(3-pyridylmethoxy)valeric acid Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(C(=O)O)OCC2=CN=CC=C2)C=O

Isomeric SMILES

CC1=CC=CC=C1C(CC(C(=O)O)OCC2=CN=CC=C2)C=O

InChI

InChI=1S/C18H19NO4/c1-13-5-2-3-7-16(13)15(11-20)9-17(18(21)22)23-12-14-6-4-8-19-10-14/h2-8,10-11,15,17H,9,12H2,1H3,(H,21,22)