2,6-dimethyl-4-(1-phenylmethoxypyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2,6-dimethyl-4-(1-phenylmethoxypyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-(1-benzyloxypyrazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2,6-dimethyl-4-(1-phenylmethoxy-4-pyrazolyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-dimethyl-4-(1-phenylmethoxypyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(1-benzoxypyrazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CN(N=C2)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CN(N=C2)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H19N3O5/c1-11-15(18(23)24)17(16(19(25)26)12(2)21-11)14-8-20-22(9-14)27-10-13-6-4-3-5-7-13/h3-9,17,21H,10H2,1-2H3,(H,23,24)(H,25,26)