O3-ethyl O4-(2-hexyldecyl) 5-cyano-6-(methylcarbamoyl)-2-phenyl-3H-pyrrolo[1,2-b]pyrazole-3,4-dicarboxylate

Systemtic Name: O3-ethyl O4-(2-hexyldecyl) 5-cyano-6-(methylcarbamoyl)-2-phenyl-3H-pyrrolo[1,2-b]pyrazole-3,4-dicarboxylate Openeye Name: O3-ethyl O4-(2-hexyldecyl) 5-cyano-6-(methylcarbamoyl)-2-phenyl-3H-pyrrolo[1,2-b]pyrazole-3,4-dicarboxylate CAS Name: 5-cyano-6-(methylcarbamoyl)-2-phenyl-3H-pyrrolo[1,2-b]pyrazole-3,4-dicarboxylic acid O3-ethyl ester O4-(2-hexyldecyl) ester IUPAC Name: 3-O-ethyl 4-O-(2-hexyldecyl) 5-cyano-6-(methylcarbamoyl)-2-phenyl-3H-pyrrolo[1,2-b]pyrazole-3,4-dicarboxylate Traditional Name: 5-cyano-6-(methylcarbamoyl)-2-phenyl-3H-pyrrolo[1,2-b]pyrazole-3,4-dicarboxylic acid O3-ethyl ester O4-(2-hexyldecyl) ester Formula: C35H48N4O5 MolecularWeight: 604.77942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC)COC(=O)C1=C2C(C(=NN2C(=C1C#N)C(=O)NC)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCCCCCC(CCCCCC)COC(=O)C1=C2C(C(=NN2C(=C1C#N)C(=O)NC)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C35H48N4O5/c1-5-8-10-12-13-16-20-25(19-15-11-9-6-2)24-44-34(41)28-27(23-36)31(33(40)37-4)39-32(28)29(35(42)43-7-3)30(38-39)26-21-17-14-18-22-26/h14,17-18,21-22,25,29H,5-13,15-16,19-20,24H2,1-4H3,(H,37,40)