ethyl 2-[4-[[(6-azanyl-5-chloranyl-2-oxidanylidene-1H-pyridin-3-yl)carbonylamino]methyl]piperidin-1-yl]hexanoate

Systemtic Name: ethyl 2-[4-[[(6-azanyl-5-chloranyl-2-oxidanylidene-1H-pyridin-3-yl)carbonylamino]methyl]piperidin-1-yl]hexanoate Openeye Name: ethyl 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]-1-piperidyl]hexanoate CAS Name: 2-[4-[[[(6-amino-5-chloro-2-oxo-1H-pyridin-3-yl)-oxomethyl]amino]methyl]-1-piperidinyl]hexanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]hexanoate Traditional Name: 2-[4-[[(6-amino-5-chloro-2-keto-1H-pyridine-3-carbonyl)amino]methyl]piperidino]hexanoic acid ethyl ester Formula: C20H31ClN4O4 MolecularWeight: 426.93754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC)N1CCC(CC1)CNC(=O)C2=CC(=C(NC2=O)N)Cl

Isomeric SMILES

CCCCC(C(=O)OCC)N1CCC(CC1)CNC(=O)C2=CC(=C(NC2=O)N)Cl

InChI

InChI=1S/C20H31ClN4O4/c1-3-5-6-16(20(28)29-4-2)25-9-7-13(8-10-25)12-23-18(26)14-11-15(21)17(22)24-19(14)27/h11,13,16H,3-10,12H2,1-2H3,(H,23,26)(H3,22,24,27)