4-[(phenylmethyl)-pyridin-3-ylcarbonyl-carbamoyl]pyridine-3-carboxylic acid

Systemtic Name: 4-[(phenylmethyl)-pyridin-3-ylcarbonyl-carbamoyl]pyridine-3-carboxylic acid Openeye Name: 4-[benzyl(pyridine-3-carbonyl)carbamoyl]pyridine-3-carboxylic acid CAS Name: 4-[oxo-[[oxo(3-pyridinyl)methyl]-(phenylmethyl)amino]methyl]-3-pyridinecarboxylic acid IUPAC Name: 4-[benzyl(pyridine-3-carbonyl)carbamoyl]pyridine-3-carboxylic acid Traditional Name: 4-[benzyl(nicotinoyl)carbamoyl]nicotinic acid Formula: C20H15N3O4 MolecularWeight: 361.3508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C(=O)C2=CN=CC=C2)C(=O)C3=C(C=NC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(C(=O)C2=CN=CC=C2)C(=O)C3=C(C=NC=C3)C(=O)O

InChI

InChI=1S/C20H15N3O4/c24-18(15-7-4-9-21-11-15)23(13-14-5-2-1-3-6-14)19(25)16-8-10-22-12-17(16)20(26)27/h1-12H,13H2,(H,26,27)