2-octyldeca-3,5,7,9-tetraynyl 2-cyano-6-isocyano-5-methyl-3-phenyl-1H-pyrrolo[1,2-a]imidazole-7-carboxylate

Systemtic Name: 2-octyldeca-3,5,7,9-tetraynyl 2-cyano-6-isocyano-5-methyl-3-phenyl-1H-pyrrolo[1,2-a]imidazole-7-carboxylate Openeye Name: 2-octyldeca-3,5,7,9-tetraynyl 2-cyano-6-isocyano-5-methyl-3-phenyl-1H-pyrrolo[1,2-a]imidazole-7-carboxylate CAS Name: 2-cyano-6-isocyano-5-methyl-3-phenyl-1H-pyrrolo[1,2-a]imidazole-7-carboxylic acid 2-octyldeca-3,5,7,9-tetraynyl ester IUPAC Name: 2-octyldeca-3,5,7,9-tetraynyl 2-cyano-6-isocyano-5-methyl-3-phenyl-1H-pyrrolo[1,2-a]imidazole-7-carboxylate Traditional Name: 2-cyano-6-isocyano-5-methyl-3-phenyl-1H-pyrrol[1,2-a]imidazole-7-carboxylic acid 2-octyldeca-3,5,7,9-tetraynyl ester Formula: C34H30N4O2 MolecularWeight: 526.6276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(COC(=O)C1=C2NC(=C(N2C(=C1[N+]#[C-])C)C3=CC=CC=C3)C#N)C#CC#CC#CC#C

Isomeric SMILES

CCCCCCCCC(COC(=O)C1=C2NC(=C(N2C(=C1[N+]#[C-])C)C3=CC=CC=C3)C#N)C#CC#CC#CC#C

InChI

InChI=1S/C34H30N4O2/c1-5-7-9-11-13-16-20-27(21-17-14-12-10-8-6-2)25-40-34(39)30-31(36-4)26(3)38-32(28-22-18-15-19-23-28)29(24-35)37-33(30)38/h1,15,18-19,22-23,27,37H,6,8,10,12,14,17,21,25H2,2-3H3