O5-ethyl O3-(phenylmethyl) 2-cyclobutyl-6-methyl-4-(2-phenylethynyl)pyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-(phenylmethyl) 2-cyclobutyl-6-methyl-4-(2-phenylethynyl)pyridine-3,5-dicarboxylate Openeye Name: O3-benzyl O5-ethyl 2-cyclobutyl-6-methyl-4-(2-phenylethynyl)pyridine-3,5-dicarboxylate CAS Name: 2-cyclobutyl-6-methyl-4-(2-phenylethynyl)pyridine-3,5-dicarboxylic acid O5-ethyl ester O3-(phenylmethyl) ester IUPAC Name: 3-O-benzyl 5-O-ethyl 2-cyclobutyl-6-methyl-4-(2-phenylethynyl)pyridine-3,5-dicarboxylate Traditional Name: 2-cyclobutyl-6-methyl-4-(2-phenylethynyl)pyridine-3,5-dicarboxylic acid O3-benzyl ester O5-ethyl ester Formula: C29H27NO4 MolecularWeight: 453.52898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1C#CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4CCC4)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1C#CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4CCC4)C

InChI

InChI=1S/C29H27NO4/c1-3-33-28(31)25-20(2)30-27(23-15-10-16-23)26(24(25)18-17-21-11-6-4-7-12-21)29(32)34-19-22-13-8-5-9-14-22/h4-9,11-14,23H,3,10,15-16,19H2,1-2H3