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

Systemtic Name: O5-ethyl O3-(phenylmethyl) 2-cyclopentyl-6-methyl-4-(2-phenylethynyl)pyridine-3,5-dicarboxylate Openeye Name: O3-benzyl O5-ethyl 2-cyclopentyl-6-methyl-4-(2-phenylethynyl)pyridine-3,5-dicarboxylate CAS Name: 2-cyclopentyl-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-cyclopentyl-6-methyl-4-(2-phenylethynyl)pyridine-3,5-dicarboxylate Traditional Name: 2-cyclopentyl-6-methyl-4-(2-phenylethynyl)pyridine-3,5-dicarboxylic acid O3-benzyl ester O5-ethyl ester Formula: C30H29NO4 MolecularWeight: 467.55556

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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)C4CCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1C#CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4CCCC4)C

InChI

InChI=1S/C30H29NO4/c1-3-34-29(32)26-21(2)31-28(24-16-10-11-17-24)27(25(26)19-18-22-12-6-4-7-13-22)30(33)35-20-23-14-8-5-9-15-23/h4-9,12-15,24H,3,10-11,16-17,20H2,1-2H3