4-oxidanylidene-2,4-bis(pyridin-3-ylmethylamino)butanoic acid

Systemtic Name: 4-oxidanylidene-2,4-bis(pyridin-3-ylmethylamino)butanoic acid Openeye Name: 4-oxo-2,4-bis(3-pyridylmethylamino)butanoic acid CAS Name: 4-oxo-2,4-bis(3-pyridinylmethylamino)butanoic acid IUPAC Name: 4-oxo-2,4-bis(pyridin-3-ylmethylamino)butanoic acid Traditional Name: 4-keto-2,4-bis(3-pyridylmethylamino)butyric acid Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(CC(=O)NCC2=CN=CC=C2)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CNC(CC(=O)NCC2=CN=CC=C2)C(=O)O

InChI

InChI=1S/C16H18N4O3/c21-15(20-11-13-4-2-6-18-9-13)7-14(16(22)23)19-10-12-3-1-5-17-8-12/h1-6,8-9,14,19H,7,10-11H2,(H,20,21)(H,22,23)