4-[[[2-(pyridin-3-ylmethylcarbamoyl)pyridin-4-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[2-(pyridin-3-ylmethylcarbamoyl)pyridin-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(3-pyridylmethylcarbamoyl)pyridine-4-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[oxo-[2-[oxo-(3-pyridinylmethylamino)methyl]-4-pyridinyl]methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(pyridin-3-ylmethylcarbamoyl)pyridine-4-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(3-pyridylmethylcarbamoyl)isonicotinoyl]amino]methyl]benzoic acid Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)C2=NC=CC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)C2=NC=CC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H18N4O4/c26-19(24-12-14-3-5-16(6-4-14)21(28)29)17-7-9-23-18(10-17)20(27)25-13-15-2-1-8-22-11-15/h1-11H,12-13H2,(H,24,26)(H,25,27)(H,28,29)