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

Systemtic Name: methyl 4-[[4-[[(6-azanyl-5-chloranyl-2-oxidanylidene-1H-pyridin-3-yl)carbonylamino]methyl]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[[[(6-amino-5-chloro-2-oxo-1H-pyridin-3-yl)-oxomethyl]amino]methyl]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[[(6-amino-5-chloro-2-keto-1H-pyridine-3-carbonyl)amino]methyl]piperidino]methyl]benzoic acid methyl ester Formula: C21H25ClN4O4 MolecularWeight: 432.9006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)CNC(=O)C3=CC(=C(NC3=O)N)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)CNC(=O)C3=CC(=C(NC3=O)N)Cl

InChI

InChI=1S/C21H25ClN4O4/c1-30-21(29)15-4-2-14(3-5-15)12-26-8-6-13(7-9-26)11-24-19(27)16-10-17(22)18(23)25-20(16)28/h2-5,10,13H,6-9,11-12H2,1H3,(H,24,27)(H3,23,25,28)