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

Systemtic Name: 4-oxidanylidene-4-[3-(pyridin-2-ylamino)propylamino]butanoic acid Openeye Name: 4-oxo-4-[3-(2-pyridylamino)propylamino]butanoic acid CAS Name: 4-oxo-4-[3-(2-pyridinylamino)propylamino]butanoic acid IUPAC Name: 4-oxo-4-[3-(pyridin-2-ylamino)propylamino]butanoic acid Traditional Name: 4-keto-4-[3-(2-pyridylamino)propylamino]butyric acid Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NCCCNC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)NCCCNC(=O)CCC(=O)O

InChI

InChI=1S/C12H17N3O3/c16-11(5-6-12(17)18)15-9-3-8-14-10-4-1-2-7-13-10/h1-2,4,7H,3,5-6,8-9H2,(H,13,14)(H,15,16)(H,17,18)