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

Systemtic Name: cyclobutyl 2-[6-azanyl-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-pyridin-2-yl]propanoate Openeye Name: cyclobutyl 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 cyclobutyl ester IUPAC Name: cyclobutyl 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 cyclobutyl ester Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=C(C(=C1C#N)C2=CC3=C(C=C2)OCO3)C#N)N)C(=O)OC4CCC4

Isomeric SMILES

CC(C1=NC(=C(C(=C1C#N)C2=CC3=C(C=C2)OCO3)C#N)N)C(=O)OC4CCC4

InChI

InChI=1S/C21H18N4O4/c1-11(21(26)29-13-3-2-4-13)19-14(8-22)18(15(9-23)20(24)25-19)12-5-6-16-17(7-12)28-10-27-16/h5-7,11,13H,2-4,10H2,1H3,(H2,24,25)