4-(1-methoxy-1-oxidanylidene-butan-2-yl)-2-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxylic acid

Systemtic Name: 4-(1-methoxy-1-oxidanylidene-butan-2-yl)-2-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxylic acid Openeye Name: 1-benzyl-4-(1-methoxycarbonylpropyl)-2-oxo-pyridine-3-carboxylic acid CAS Name: 4-(1-methoxy-1-oxobutan-2-yl)-2-oxo-1-(phenylmethyl)-3-pyridinecarboxylic acid IUPAC Name: 1-benzyl-4-(1-methoxy-1-oxobutan-2-yl)-2-oxopyridine-3-carboxylic acid Traditional Name: 1-benzyl-4-(1-carbomethoxypropyl)-2-keto-nicotinic acid Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=O)N(C=C1)CC2=CC=CC=C2)C(=O)O)C(=O)OC

Isomeric SMILES

CCC(C1=C(C(=O)N(C=C1)CC2=CC=CC=C2)C(=O)O)C(=O)OC

InChI

InChI=1S/C18H19NO5/c1-3-13(18(23)24-2)14-9-10-19(16(20)15(14)17(21)22)11-12-7-5-4-6-8-12/h4-10,13H,3,11H2,1-2H3,(H,21,22)