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

Systemtic Name: methyl 4-[3-[[2-acetyloxy-2-(5-azanyl-6-cyano-pyridin-2-yl)ethanoyl]amino]propyl]benzoate Openeye Name: methyl 4-[3-[[2-acetoxy-2-(5-amino-6-cyano-2-pyridyl)acetyl]amino]propyl]benzoate CAS Name: 4-[3-[[2-acetyloxy-2-(5-amino-6-cyano-2-pyridinyl)-1-oxoethyl]amino]propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[[2-acetyloxy-2-(5-amino-6-cyanopyridin-2-yl)acetyl]amino]propyl]benzoate Traditional Name: 4-[3-[[2-acetoxy-2-(5-amino-6-cyano-2-pyridyl)acetyl]amino]propyl]benzoic acid methyl ester Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=NC(=C(C=C1)N)C#N)C(=O)NCCCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(=O)OC(C1=NC(=C(C=C1)N)C#N)C(=O)NCCCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H22N4O5/c1-13(26)30-19(17-10-9-16(23)18(12-22)25-17)20(27)24-11-3-4-14-5-7-15(8-6-14)21(28)29-2/h5-10,19H,3-4,11,23H2,1-2H3,(H,24,27)