4-(2-chlorophenyl)-2-(2,2-diethoxyethoxymethyl)-1-methyl-4H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(2-chlorophenyl)-2-(2,2-diethoxyethoxymethyl)-1-methyl-4H-pyridine-3,5-dicarboxylic acid Openeye Name: 4-(2-chlorophenyl)-2-(2,2-diethoxyethoxymethyl)-1-methyl-4H-pyridine-3,5-dicarboxylic acid CAS Name: 4-(2-chlorophenyl)-2-(2,2-diethoxyethoxymethyl)-1-methyl-4H-pyridine-3,5-dicarboxylic acid IUPAC Name: 4-(2-chlorophenyl)-2-(2,2-diethoxyethoxymethyl)-1-methyl-4H-pyridine-3,5-dicarboxylic acid Traditional Name: 4-(2-chlorophenyl)-2-(2,2-diethoxyethoxymethyl)-1-methyl-4H-pyridine-3,5-dicarboxylic acid Formula: C21H26ClNO7 MolecularWeight: 439.88664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(COCC1=C(C(C(=CN1C)C(=O)O)C2=CC=CC=C2Cl)C(=O)O)OCC

Isomeric SMILES

CCOC(COCC1=C(C(C(=CN1C)C(=O)O)C2=CC=CC=C2Cl)C(=O)O)OCC

InChI

InChI=1S/C21H26ClNO7/c1-4-29-17(30-5-2)12-28-11-16-19(21(26)27)18(13-8-6-7-9-15(13)22)14(20(24)25)10-23(16)3/h6-10,17-18H,4-5,11-12H2,1-3H3,(H,24,25)(H,26,27)