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

Systemtic Name: propan-2-yl 2-[6-azanyl-4-(1,3-benzodioxol-5-yl)-3,5-dicyano-pyridin-2-yl]propanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O4/c1-10(2)28-20(25)11(3)18-13(7-21)17(14(8-22)19(23)24-18)12-4-5-15-16(6-12)27-9-26-15/h4-6,10-11H,9H2,1-3H3,(H2,23,24)