5-(phenylmethyl)pyridine-2,3-dicarboxylic acid

Systemtic Name: 5-(phenylmethyl)pyridine-2,3-dicarboxylic acid Openeye Name: 5-benzylpyridine-2,3-dicarboxylic acid CAS Name: 5-(phenylmethyl)pyridine-2,3-dicarboxylic acid IUPAC Name: 5-benzylpyridine-2,3-dicarboxylic acid Traditional Name: 5-benzylquinolinic acid Formula: C14H11NO4 MolecularWeight: 257.24144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CN=C(C(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CN=C(C(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C14H11NO4/c16-13(17)11-7-10(8-15-12(11)14(18)19)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,16,17)(H,18,19)