methyl 4-(2-oxidanylidene-2-pyridin-3-yl-ethyl)benzoate benzoate

Systemtic Name: methyl 4-(2-oxidanylidene-2-pyridin-3-yl-ethyl)benzoate benzoate Openeye Name: methyl 4-[2-oxo-2-(3-pyridyl)ethyl]benzoate benzoate CAS Name: 4-[2-oxo-2-(3-pyridinyl)ethyl]benzoic acid methyl ester benzoate IUPAC Name: methyl 4-(2-oxo-2-pyridin-3-ylethyl)benzoate benzoate Traditional Name: 4-[2-keto-2-(3-pyridyl)ethyl]benzoic acid methyl ester benzoate Formula: C22H18NO5- MolecularWeight: 376.38202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CC(=O)C2=CN=CC=C2.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CC(=O)C2=CN=CC=C2.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C15H13NO3.C7H6O2/c1-19-15(18)12-6-4-11(5-7-12)9-14(17)13-3-2-8-16-10-13;8-7(9)6-4-2-1-3-5-6/h2-8,10H,9H2,1H3;1-5H,(H,8,9)/p-1