4-oxidanylidene-4-[[2-(propylamino)pyridin-3-yl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[2-(propylamino)pyridin-3-yl]amino]butanoic acid Openeye Name: 4-oxo-4-[[2-(propylamino)-3-pyridyl]amino]butanoic acid CAS Name: 4-oxo-4-[[2-(propylamino)-3-pyridinyl]amino]butanoic acid IUPAC Name: 4-oxo-4-[[2-(propylamino)pyridin-3-yl]amino]butanoic acid Traditional Name: 4-keto-4-[[2-(propylamino)-3-pyridyl]amino]butyric acid Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=CC=N1)NC(=O)CCC(=O)O

Isomeric SMILES

CCCNC1=C(C=CC=N1)NC(=O)CCC(=O)O

InChI

InChI=1S/C12H17N3O3/c1-2-7-13-12-9(4-3-8-14-12)15-10(16)5-6-11(17)18/h3-4,8H,2,5-7H2,1H3,(H,13,14)(H,15,16)(H,17,18)