4-(2-chlorophenyl)-1-ethyl-6-methyl-5-(2-methylpropylcarbamoyl)-4H-pyridine-2,3-dicarboxylic acid

Systemtic Name: 4-(2-chlorophenyl)-1-ethyl-6-methyl-5-(2-methylpropylcarbamoyl)-4H-pyridine-2,3-dicarboxylic acid Openeye Name: 4-(2-chlorophenyl)-1-ethyl-5-(isobutylcarbamoyl)-6-methyl-4H-pyridine-2,3-dicarboxylic acid CAS Name: 4-(2-chlorophenyl)-1-ethyl-6-methyl-5-[(2-methylpropylamino)-oxomethyl]-4H-pyridine-2,3-dicarboxylic acid IUPAC Name: 4-(2-chlorophenyl)-1-ethyl-6-methyl-5-(2-methylpropylcarbamoyl)-4H-pyridine-2,3-dicarboxylic acid Traditional Name: 4-(2-chlorophenyl)-1-ethyl-5-(isobutylcarbamoyl)-6-methyl-4H-pyridine-2,3-dicarboxylic acid Formula: C21H25ClN2O5 MolecularWeight: 420.8866

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(C(=C1C(=O)O)C(=O)O)C2=CC=CC=C2Cl)C(=O)NCC(C)C)C

Isomeric SMILES

CCN1C(=C(C(C(=C1C(=O)O)C(=O)O)C2=CC=CC=C2Cl)C(=O)NCC(C)C)C

InChI

InChI=1S/C21H25ClN2O5/c1-5-24-12(4)15(19(25)23-10-11(2)3)16(13-8-6-7-9-14(13)22)17(20(26)27)18(24)21(28)29/h6-9,11,16H,5,10H2,1-4H3,(H,23,25)(H,26,27)(H,28,29)