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

Systemtic Name: 2,6-dimethyl-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-(2-benzyloxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2,6-dimethyl-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-dimethyl-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(2-benzoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=CC=C2OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=CC=C2OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H21NO5/c1-13-18(21(24)25)20(19(22(26)27)14(2)23-13)16-10-6-7-11-17(16)28-12-15-8-4-3-5-9-15/h3-11,20,23H,12H2,1-2H3,(H,24,25)(H,26,27)