methyl 4-[3-[[2-(5-azanyl-6-cyano-pyridin-2-yl)-2-oxidanyl-ethanoyl]amino]propyl]benzoate

Systemtic Name: methyl 4-[3-[[2-(5-azanyl-6-cyano-pyridin-2-yl)-2-oxidanyl-ethanoyl]amino]propyl]benzoate Openeye Name: methyl 4-[3-[[2-(5-amino-6-cyano-2-pyridyl)-2-hydroxy-acetyl]amino]propyl]benzoate CAS Name: 4-[3-[[2-(5-amino-6-cyano-2-pyridinyl)-2-hydroxy-1-oxoethyl]amino]propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[[2-(5-amino-6-cyanopyridin-2-yl)-2-hydroxyacetyl]amino]propyl]benzoate Traditional Name: 4-[3-[[2-(5-amino-6-cyano-2-pyridyl)-2-hydroxy-acetyl]amino]propyl]benzoic acid methyl ester Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCCNC(=O)C(C2=NC(=C(C=C2)N)C#N)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCCNC(=O)C(C2=NC(=C(C=C2)N)C#N)O

InChI

InChI=1S/C19H20N4O4/c1-27-19(26)13-6-4-12(5-7-13)3-2-10-22-18(25)17(24)15-9-8-14(21)16(11-20)23-15/h4-9,17,24H,2-3,10,21H2,1H3,(H,22,25)