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

Systemtic Name: methyl 5-[4-[[(6-azanyl-5-chloranyl-2-oxidanylidene-1H-pyridin-3-yl)carbonylamino]methyl]piperidin-1-yl]pentanoate Openeye Name: methyl 5-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]-1-piperidyl]pentanoate CAS Name: 5-[4-[[[(6-amino-5-chloro-2-oxo-1H-pyridin-3-yl)-oxomethyl]amino]methyl]-1-piperidinyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]pentanoate Traditional Name: 5-[4-[[(6-amino-5-chloro-2-keto-1H-pyridine-3-carbonyl)amino]methyl]piperidino]valeric acid methyl ester Formula: C18H27ClN4O4 MolecularWeight: 398.88438

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCN1CCC(CC1)CNC(=O)C2=CC(=C(NC2=O)N)Cl

Isomeric SMILES

COC(=O)CCCCN1CCC(CC1)CNC(=O)C2=CC(=C(NC2=O)N)Cl

InChI

InChI=1S/C18H27ClN4O4/c1-27-15(24)4-2-3-7-23-8-5-12(6-9-23)11-21-17(25)13-10-14(19)16(20)22-18(13)26/h10,12H,2-9,11H2,1H3,(H,21,25)(H3,20,22,26)