4-(2-chloranyl-3-cyano-phenyl)-1-(1-methoxy-3-methyl-butan-2-yl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(2-chloranyl-3-cyano-phenyl)-1-(1-methoxy-3-methyl-butan-2-yl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid Openeye Name: 4-(2-chloro-3-cyano-phenyl)-1-[1-(methoxymethyl)-2-methyl-propyl]-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid CAS Name: 4-(2-chloro-3-cyanophenyl)-1-(1-methoxy-3-methylbutan-2-yl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid IUPAC Name: 4-(2-chloro-3-cyanophenyl)-1-(1-methoxy-3-methylbutan-2-yl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid Traditional Name: 4-(2-chloro-3-cyano-phenyl)-1-[1-(methoxymethyl)-2-methyl-propyl]-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid Formula: C22H25ClN2O5 MolecularWeight: 432.8973

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1C(COC)C(C)C)C)C(=O)O)C2=CC=CC(=C2Cl)C#N)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1C(COC)C(C)C)C)C(=O)O)C2=CC=CC(=C2Cl)C#N)C(=O)O

InChI

InChI=1S/C22H25ClN2O5/c1-11(2)16(10-30-5)25-12(3)17(21(26)27)19(18(13(25)4)22(28)29)15-8-6-7-14(9-24)20(15)23/h6-8,11,16,19H,10H2,1-5H3,(H,26,27)(H,28,29)