2,6-dimethyl-4-[2-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2,6-dimethyl-4-[2-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-[2-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-[2-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-[2-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-[2-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=CC=C2C#CC(C)(C)O)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=CC=C2C#CC(C)(C)O)C(=O)O

InChI

InChI=1S/C20H21NO5/c1-11-15(18(22)23)17(16(19(24)25)12(2)21-11)14-8-6-5-7-13(14)9-10-20(3,4)26/h5-8,17,21,26H,1-4H3,(H,22,23)(H,24,25)