4-(2-chloranyl-3-cyano-phenyl)-2,6-dimethyl-5-[2-(2-methylpropoxy)ethoxycarbonyl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 4-(2-chloranyl-3-cyano-phenyl)-2,6-dimethyl-5-[2-(2-methylpropoxy)ethoxycarbonyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: 4-(2-chloro-3-cyano-phenyl)-5-(2-isobutoxyethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(2-chloro-3-cyanophenyl)-2,6-dimethyl-5-[2-(2-methylpropoxy)ethoxy-oxomethyl]-1,4-dihydropyridine-3-carboxylate IUPAC Name: 4-(2-chloro-3-cyanophenyl)-2,6-dimethyl-5-[2-(2-methylpropoxy)ethoxycarbonyl]-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(2-chloro-3-cyano-phenyl)-5-(2-isobutoxyethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate Formula: C22H24ClN2O5- MolecularWeight: 431.88936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCOCC(C)C)C2=CC=CC(=C2Cl)C#N)C(=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCOCC(C)C)C2=CC=CC(=C2Cl)C#N)C(=O)[O-]

InChI

InChI=1S/C22H25ClN2O5/c1-12(2)11-29-8-9-30-22(28)18-14(4)25-13(3)17(21(26)27)19(18)16-7-5-6-15(10-24)20(16)23/h5-7,12,19,25H,8-9,11H2,1-4H3,(H,26,27)/p-1