O3-tert-butyl O5-ethyl 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-tert-butyl O5-ethyl 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-tert-butyl O5-ethyl 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-dicarboxylic acid O3-tert-butyl ester O5-ethyl ester IUPAC Name: 3-O-tert-butyl 5-O-ethyl 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-dicarboxylic acid O3-tert-butyl ester O5-ethyl ester Formula: C28H29NO4 MolecularWeight: 443.53416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29NO4/c1-6-32-26(30)24-22(18-17-20-13-9-7-10-14-20)23(27(31)33-28(3,4)5)19(2)29-25(24)21-15-11-8-12-16-21/h7-16,22,29H,6H2,1-5H3