butyl 2-[6-azanyl-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-pyridin-2-yl]propanoate

Systemtic Name: butyl 2-[6-azanyl-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-pyridin-2-yl]propanoate Openeye Name: butyl 2-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-2-pyridyl]propanoate CAS Name: 2-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-2-pyridinyl]propanoic acid butyl ester IUPAC Name: butyl 2-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyanopyridin-2-yl]propanoate Traditional Name: 2-[6-amino-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-2-pyridyl]propionic acid butyl ester Formula: C21H20N4O4 MolecularWeight: 392.4079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)C1=NC(=C(C(=C1C#N)C2=CC3=C(C=C2)OCO3)C#N)N

Isomeric SMILES

CCCCOC(=O)C(C)C1=NC(=C(C(=C1C#N)C2=CC3=C(C=C2)OCO3)C#N)N

InChI

InChI=1S/C21H20N4O4/c1-3-4-7-27-21(26)12(2)19-14(9-22)18(15(10-23)20(24)25-19)13-5-6-16-17(8-13)29-11-28-16/h5-6,8,12H,3-4,7,11H2,1-2H3,(H2,24,25)