4-oxidanylidene-4-[[4-(pyridin-3-ylmethylcarbamoyl)phenyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[4-(pyridin-3-ylmethylcarbamoyl)phenyl]amino]butanoic acid Openeye Name: 4-oxo-4-[4-(3-pyridylmethylcarbamoyl)anilino]butanoic acid CAS Name: 4-oxo-4-[4-[oxo-(3-pyridinylmethylamino)methyl]anilino]butanoic acid IUPAC Name: 4-oxo-4-[4-(pyridin-3-ylmethylcarbamoyl)anilino]butanoic acid Traditional Name: 4-keto-4-[4-(3-pyridylmethylcarbamoyl)anilino]butyric acid Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C17H17N3O4/c21-15(7-8-16(22)23)20-14-5-3-13(4-6-14)17(24)19-11-12-2-1-9-18-10-12/h1-6,9-10H,7-8,11H2,(H,19,24)(H,20,21)(H,22,23)