4-(2-chloranyl-3-cyano-phenyl)-1-(2-methoxyethyl)-2-methyl-6-(2-methylpropyl)-4H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(2-chloranyl-3-cyano-phenyl)-1-(2-methoxyethyl)-2-methyl-6-(2-methylpropyl)-4H-pyridine-3,5-dicarboxylic acid Openeye Name: 4-(2-chloro-3-cyano-phenyl)-2-isobutyl-1-(2-methoxyethyl)-6-methyl-4H-pyridine-3,5-dicarboxylic acid CAS Name: 4-(2-chloro-3-cyanophenyl)-1-(2-methoxyethyl)-2-methyl-6-(2-methylpropyl)-4H-pyridine-3,5-dicarboxylic acid IUPAC Name: 4-(2-chloro-3-cyanophenyl)-1-(2-methoxyethyl)-2-methyl-6-(2-methylpropyl)-4H-pyridine-3,5-dicarboxylic acid Traditional Name: 4-(2-chloro-3-cyano-phenyl)-2-isobutyl-1-(2-methoxyethyl)-6-methyl-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(N1CCOC)CC(C)C)C(=O)O)C2=CC=CC(=C2Cl)C#N)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1CCOC)CC(C)C)C(=O)O)C2=CC=CC(=C2Cl)C#N)C(=O)O

InChI

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