13-[[5-(methylamino)-3-(4-oxidanyl-4-oxidanylidene-butoxy)pyridin-2-yl]amino]-13-oxidanylidene-tridecanoic acid

Systemtic Name: 13-[[5-(methylamino)-3-(4-oxidanyl-4-oxidanylidene-butoxy)pyridin-2-yl]amino]-13-oxidanylidene-tridecanoic acid Openeye Name: 13-[[3-(4-hydroxy-4-oxo-butoxy)-5-(methylamino)-2-pyridyl]amino]-13-oxo-tridecanoic acid CAS Name: 13-[[3-(4-hydroxy-4-oxobutoxy)-5-(methylamino)-2-pyridinyl]amino]-13-oxotridecanoic acid IUPAC Name: 13-[[3-(4-hydroxy-4-oxobutoxy)-5-(methylamino)pyridin-2-yl]amino]-13-oxotridecanoic acid Traditional Name: 13-[[3-(4-hydroxy-4-keto-butoxy)-5-(methylamino)-2-pyridyl]amino]-13-keto-tridecanoic acid Formula: C23H37N3O6 MolecularWeight: 451.55638

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC(=C(N=C1)NC(=O)CCCCCCCCCCCC(=O)O)OCCCC(=O)O

Isomeric SMILES

CNC1=CC(=C(N=C1)NC(=O)CCCCCCCCCCCC(=O)O)OCCCC(=O)O

InChI

InChI=1S/C23H37N3O6/c1-24-18-16-19(32-15-11-14-22(30)31)23(25-17-18)26-20(27)12-9-7-5-3-2-4-6-8-10-13-21(28)29/h16-17,24H,2-15H2,1H3,(H,28,29)(H,30,31)(H,25,26,27)