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

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

CCOC(=O)CCCCCN1CCC(CC1)CNC(=O)C2=CC(=C(NC2=O)N)Cl

Isomeric SMILES

CCOC(=O)CCCCCN1CCC(CC1)CNC(=O)C2=CC(=C(NC2=O)N)Cl

InChI

InChI=1S/C20H31ClN4O4/c1-2-29-17(26)6-4-3-5-9-25-10-7-14(8-11-25)13-23-19(27)15-12-16(21)18(22)24-20(15)28/h12,14H,2-11,13H2,1H3,(H,23,27)(H3,22,24,28)