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

Systemtic Name: 2-oxidanylidene-4-(1-oxidanyl-1-oxidanylidene-butan-2-yl)-1-(phenylmethyl)pyridine-3-carboxylic acid Openeye Name: 1-benzyl-4-(1-carboxypropyl)-2-oxo-pyridine-3-carboxylic acid CAS Name: 4-(1-hydroxy-1-oxobutan-2-yl)-2-oxo-1-(phenylmethyl)-3-pyridinecarboxylic acid IUPAC Name: 1-benzyl-4-(1-hydroxy-1-oxobutan-2-yl)-2-oxopyridine-3-carboxylic acid Traditional Name: 1-benzyl-4-(1-carboxypropyl)-2-keto-nicotinic acid Formula: C17H17NO5 MolecularWeight: 315.32058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO5/c1-2-12(16(20)21)13-8-9-18(15(19)14(13)17(22)23)10-11-6-4-3-5-7-11/h3-9,12H,2,10H2,1H3,(H,20,21)(H,22,23)