diethyl 2-methyl-4-[2-(3-methylphenyl)ethynyl]-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-methyl-4-[2-(3-methylphenyl)ethynyl]-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-methyl-4-[2-(m-tolyl)ethynyl]-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-4-[2-(3-methylphenyl)ethynyl]-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-4-[2-(3-methylphenyl)ethynyl]-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-4-[2-(m-tolyl)ethynyl]-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C#CC2=CC(=CC=C2)C)C(=O)OCC)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C#CC2=CC(=CC=C2)C)C(=O)OCC)C3=CC=CC=C3)C

InChI

InChI=1S/C27H27NO4/c1-5-31-26(29)23-19(4)28-25(21-13-8-7-9-14-21)24(27(30)32-6-2)22(23)16-15-20-12-10-11-18(3)17-20/h7-14,17,22,28H,5-6H2,1-4H3