4-(2-chloranyl-6-methyl-phenyl)-2-(fluoranylmethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(2-chloranyl-6-methyl-phenyl)-2-(fluoranylmethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-(2-chloro-6-methyl-phenyl)-2-(fluoromethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(2-chloro-6-methylphenyl)-2-(fluoromethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(2-chloro-6-methylphenyl)-2-(fluoromethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(2-chloro-6-methyl-phenyl)-2-(fluoromethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C16H15ClFNO4 MolecularWeight: 339.746003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)C2C(=C(NC(=C2C(=O)O)CF)C)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)C2C(=C(NC(=C2C(=O)O)CF)C)C(=O)O

InChI

InChI=1S/C16H15ClFNO4/c1-7-4-3-5-9(17)11(7)14-12(15(20)21)8(2)19-10(6-18)13(14)16(22)23/h3-5,14,19H,6H2,1-2H3,(H,20,21)(H,22,23)