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

Systemtic Name: ethyl 2-[4-(1,3-benzodioxol-5-yl)-3,5-dicyano-6-(ethylamino)pyridin-2-yl]butanoate Openeye Name: ethyl 2-[4-(1,3-benzodioxol-5-yl)-3,5-dicyano-6-(ethylamino)-2-pyridyl]butanoate CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-3,5-dicyano-6-(ethylamino)-2-pyridinyl]butanoic acid ethyl ester IUPAC Name: ethyl 2-[4-(1,3-benzodioxol-5-yl)-3,5-dicyano-6-(ethylamino)pyridin-2-yl]butanoate Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)-3,5-dicyano-6-(ethylamino)-2-pyridyl]butyric acid ethyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC(=C(C(=C1C#N)C2=CC3=C(C=C2)OCO3)C#N)NCC)C(=O)OCC

Isomeric SMILES

CCC(C1=NC(=C(C(=C1C#N)C2=CC3=C(C=C2)OCO3)C#N)NCC)C(=O)OCC

InChI

InChI=1S/C22H22N4O4/c1-4-14(22(27)28-6-3)20-15(10-23)19(16(11-24)21(26-20)25-5-2)13-7-8-17-18(9-13)30-12-29-17/h7-9,14H,4-6,12H2,1-3H3,(H,25,26)