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

Systemtic Name: 2-hexyldecyl 2-cyano-6-isocyano-5-methyl-3-phenyl-1H-pyrrolo[1,2-a]imidazole-7-carboxylate Openeye Name: 2-hexyldecyl 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-hexyldecyl ester IUPAC Name: 2-hexyldecyl 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-hexyldecyl ester Formula: C32H42N4O2 MolecularWeight: 514.70148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H42N4O2/c1-5-7-9-11-12-15-19-25(18-14-10-8-6-2)23-38-32(37)28-29(34-4)24(3)36-30(26-20-16-13-17-21-26)27(22-33)35-31(28)36/h13,16-17,20-21,25,35H,5-12,14-15,18-19,23H2,1-3H3