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

Systemtic Name: 4-[(2,6-dimethylphenoxy)methyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-[(2,6-dimethylphenoxy)methyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-[(2,6-dimethylphenoxy)methyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-[(2,6-dimethylphenoxy)methyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-[(2,6-dimethylphenoxy)methyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2C(=C(NC(=C2C(=O)O)C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2C(=C(NC(=C2C(=O)O)C)C)C(=O)O

InChI

InChI=1S/C18H21NO5/c1-9-6-5-7-10(2)16(9)24-8-13-14(17(20)21)11(3)19-12(4)15(13)18(22)23/h5-7,13,19H,8H2,1-4H3,(H,20,21)(H,22,23)