2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid

Systemtic Name: 2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid Openeye Name: 2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid CAS Name: 2-[[3-(1-imidazolyl)propylamino]-oxomethyl]-3-pyridinecarboxylic acid IUPAC Name: 2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid Traditional Name: 2-(3-imidazol-1-ylpropylcarbamoyl)nicotinic acid Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)C(=O)NCCCN2C=CN=C2)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)C(=O)NCCCN2C=CN=C2)C(=O)O

InChI

InChI=1S/C13H14N4O3/c18-12(11-10(13(19)20)3-1-4-15-11)16-5-2-7-17-8-6-14-9-17/h1,3-4,6,8-9H,2,5,7H2,(H,16,18)(H,19,20)