ethyl 6-methyl-2-phenyl-4-(2-phenylethynyl)-5-propanoyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 6-methyl-2-phenyl-4-(2-phenylethynyl)-5-propanoyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 6-methyl-2-phenyl-4-(2-phenylethynyl)-5-propanoyl-1,4-dihydropyridine-3-carboxylate CAS Name: 6-methyl-5-(1-oxopropyl)-2-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-phenyl-4-(2-phenylethynyl)-5-propanoyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-methyl-2-phenyl-4-(2-phenylethynyl)-5-propionyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C26H25NO3 MolecularWeight: 399.4816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO3/c1-4-22(28)23-18(3)27-25(20-14-10-7-11-15-20)24(26(29)30-5-2)21(23)17-16-19-12-8-6-9-13-19/h6-15,21,27H,4-5H2,1-3H3