5-(2,2-dicyanoethoxycarbonyl)-2,6-dimethyl-4-(phenylmethyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 5-(2,2-dicyanoethoxycarbonyl)-2,6-dimethyl-4-(phenylmethyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 4-benzyl-5-(2,2-dicyanoethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-[2,2-dicyanoethoxy(oxo)methyl]-2,6-dimethyl-4-(phenylmethyl)-1,4-dihydropyridine-3-carboxylate IUPAC Name: 4-benzyl-5-(2,2-dicyanoethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-benzyl-5-(2,2-dicyanoethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate Formula: C20H18N3O4- MolecularWeight: 364.37462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCC(C#N)C#N)CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCC(C#N)C#N)CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C20H19N3O4/c1-12-17(19(24)25)16(8-14-6-4-3-5-7-14)18(13(2)23-12)20(26)27-11-15(9-21)10-22/h3-7,15-16,23H,8,11H2,1-2H3,(H,24,25)/p-1