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

Systemtic Name: 2-methylpropyl 2-[4-(1,3-benzodioxol-5-yl)-3,5-dicyano-6-(methylamino)pyridin-2-yl]propanoate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O4/c1-12(2)10-28-22(27)13(3)20-15(8-23)19(16(9-24)21(25-4)26-20)14-5-6-17-18(7-14)30-11-29-17/h5-7,12-13H,10-11H2,1-4H3,(H,25,26)