4-(3-chlorophenyl)-2-ethyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(3-chlorophenyl)-2-ethyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-(3-chlorophenyl)-2-ethyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(3-chlorophenyl)-2-ethyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(3-chlorophenyl)-2-ethyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(3-chlorophenyl)-2-ethyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C16H16ClNO4 MolecularWeight: 321.75554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C(=C(N1)C)C(=O)O)C2=CC(=CC=C2)Cl)C(=O)O

Isomeric SMILES

CCC1=C(C(C(=C(N1)C)C(=O)O)C2=CC(=CC=C2)Cl)C(=O)O

InChI

InChI=1S/C16H16ClNO4/c1-3-11-14(16(21)22)13(9-5-4-6-10(17)7-9)12(15(19)20)8(2)18-11/h4-7,13,18H,3H2,1-2H3,(H,19,20)(H,21,22)