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

Systemtic Name: [4-[[(6-azanyl-5-chloranyl-2-oxidanylidene-1H-pyridin-3-yl)carbonylamino]methyl]piperidin-1-yl] 2-phenylethanoate Openeye Name: [4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]-1-piperidyl] 2-phenylacetate CAS Name: 2-phenylacetic acid [4-[[[(6-amino-5-chloro-2-oxo-1H-pyridin-3-yl)-oxomethyl]amino]methyl]-1-piperidinyl] ester IUPAC Name: [4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl] 2-phenylacetate Traditional Name: 2-phenylacetic acid [4-[[(6-amino-5-chloro-2-keto-1H-pyridine-3-carbonyl)amino]methyl]piperidino] ester Formula: C20H23ClN4O4 MolecularWeight: 418.87402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC(=O)C2=CC(=C(NC2=O)N)Cl)OC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1CNC(=O)C2=CC(=C(NC2=O)N)Cl)OC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H23ClN4O4/c21-16-11-15(20(28)24-18(16)22)19(27)23-12-14-6-8-25(9-7-14)29-17(26)10-13-4-2-1-3-5-13/h1-5,11,14H,6-10,12H2,(H,23,27)(H3,22,24,28)