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

Systemtic Name: methyl 4-[4-[[(6-azanyl-5-chloranyl-2-oxidanylidene-1H-pyridin-3-yl)carbonylamino]methyl]piperidin-1-yl]butanoate Openeye Name: methyl 4-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]-1-piperidyl]butanoate CAS Name: 4-[4-[[[(6-amino-5-chloro-2-oxo-1H-pyridin-3-yl)-oxomethyl]amino]methyl]-1-piperidinyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]butanoate Traditional Name: 4-[4-[[(6-amino-5-chloro-2-keto-1H-pyridine-3-carbonyl)amino]methyl]piperidino]butyric acid methyl ester Formula: C17H25ClN4O4 MolecularWeight: 384.8578

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1CCC(CC1)CNC(=O)C2=CC(=C(NC2=O)N)Cl

Isomeric SMILES

COC(=O)CCCN1CCC(CC1)CNC(=O)C2=CC(=C(NC2=O)N)Cl

InChI

InChI=1S/C17H25ClN4O4/c1-26-14(23)3-2-6-22-7-4-11(5-8-22)10-20-16(24)12-9-13(18)15(19)21-17(12)25/h9,11H,2-8,10H2,1H3,(H,20,24)(H3,19,21,25)