5-[(pyridin-3-ylmethylamino)methyl]furan-2-carboxylic acid

Systemtic Name: 5-[(pyridin-3-ylmethylamino)methyl]furan-2-carboxylic acid Openeye Name: 5-[(3-pyridylmethylamino)methyl]furan-2-carboxylic acid CAS Name: 5-[(3-pyridinylmethylamino)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(pyridin-3-ylmethylamino)methyl]furan-2-carboxylic acid Traditional Name: 5-[(3-pyridylmethylamino)methyl]-2-furoic acid Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNCC2=CC=C(O2)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CNCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C12H12N2O3/c15-12(16)11-4-3-10(17-11)8-14-7-9-2-1-5-13-6-9/h1-6,14H,7-8H2,(H,15,16)