diethyl 2-methyl-4-[2-(3-methylphenyl)ethynyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-methyl-4-[2-(3-methylphenyl)ethynyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-methyl-4-[2-(m-tolyl)ethynyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-4-[2-(3-methylphenyl)ethynyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-4-[2-(3-methylphenyl)ethynyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-4-[2-(m-tolyl)ethynyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C21H23NO4 MolecularWeight: 353.41162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC(=C(C1C#CC2=CC(=CC=C2)C)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=CNC(=C(C1C#CC2=CC(=CC=C2)C)C(=O)OCC)C

InChI

InChI=1S/C21H23NO4/c1-5-25-20(23)18-13-22-15(4)19(21(24)26-6-2)17(18)11-10-16-9-7-8-14(3)12-16/h7-9,12-13,17,22H,5-6H2,1-4H3