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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN4O4/c1-3-14(18(26)27-4-2)23-7-5-11(6-8-23)10-21-16(24)12-9-13(19)15(20)22-17(12)25/h9,11,14H,3-8,10H2,1-2H3,(H,21,24)(H3,20,22,25)