ethyl 5-[5-ethoxycarbonyl-3-(2-phenylethynyl)-4-propyl-1H-pyrrol-2-yl]-4-(2-phenylethynyl)-3-propyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 5-[5-ethoxycarbonyl-3-(2-phenylethynyl)-4-propyl-1H-pyrrol-2-yl]-4-(2-phenylethynyl)-3-propyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 5-[5-ethoxycarbonyl-3-(2-phenylethynyl)-4-propyl-1H-pyrrol-2-yl]-4-(2-phenylethynyl)-3-propyl-1H-pyrrole-2-carboxylate CAS Name: 5-[5-ethoxycarbonyl-3-(2-phenylethynyl)-4-propyl-1H-pyrrol-2-yl]-4-(2-phenylethynyl)-3-propyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[5-ethoxycarbonyl-3-(2-phenylethynyl)-4-propyl-1H-pyrrol-2-yl]-4-(2-phenylethynyl)-3-propyl-1H-pyrrole-2-carboxylate Traditional Name: 5-[5-carbethoxy-3-(2-phenylethynyl)-4-propyl-1H-pyrrol-2-yl]-4-(2-phenylethynyl)-3-propyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C36H36N2O4 MolecularWeight: 560.68204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC(=C1C#CC2=CC=CC=C2)C3=C(C(=C(N3)C(=O)OCC)CCC)C#CC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCCC1=C(NC(=C1C#CC2=CC=CC=C2)C3=C(C(=C(N3)C(=O)OCC)CCC)C#CC4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C36H36N2O4/c1-5-15-27-29(23-21-25-17-11-9-12-18-25)31(37-33(27)35(39)41-7-3)32-30(24-22-26-19-13-10-14-20-26)28(16-6-2)34(38-32)36(40)42-8-4/h9-14,17-20,37-38H,5-8,15-16H2,1-4H3