4-[(2-chlorophenyl)methyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)CC2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)CC2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C16H16ClNO4/c1-8-13(15(19)20)11(14(16(21)22)9(2)18-8)7-10-5-3-4-6-12(10)17/h3-6,11,18H,7H2,1-2H3,(H,19,20)(H,21,22)