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

Systemtic Name: ethyl 2-[4-(1,3-benzodioxol-5-yl)-3,5-dicyano-6-(methylamino)pyridin-2-yl]propanoate Openeye Name: ethyl 2-[4-(1,3-benzodioxol-5-yl)-3,5-dicyano-6-(methylamino)-2-pyridyl]propanoate CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-3,5-dicyano-6-(methylamino)-2-pyridinyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[4-(1,3-benzodioxol-5-yl)-3,5-dicyano-6-(methylamino)pyridin-2-yl]propanoate Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)-3,5-dicyano-6-(methylamino)-2-pyridyl]propionic acid ethyl ester Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O4/c1-4-26-20(25)11(2)18-13(8-21)17(14(9-22)19(23-3)24-18)12-5-6-15-16(7-12)28-10-27-15/h5-7,11H,4,10H2,1-3H3,(H,23,24)