2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate IUPAC Name: 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate Formula: C22H15NO4-2 MolecularWeight: 357.3588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C2=CC=CC=C2)C(=O)[O-])C#CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)C2=CC=CC=C2)C(=O)[O-])C#CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C22H17NO4/c1-14-18(21(24)25)17(13-12-15-8-4-2-5-9-15)19(22(26)27)20(23-14)16-10-6-3-7-11-16/h2-11,17,23H,1H3,(H,24,25)(H,26,27)/p-2