methyl 3-(6-azidohexyl)-5-(5-azidopentoxy)-1H-indole-2-carboxylate

Systemtic Name: methyl 3-(6-azidohexyl)-5-(5-azidopentoxy)-1H-indole-2-carboxylate Openeye Name: methyl 3-(6-azidohexyl)-5-(5-azidopentoxy)-1H-indole-2-carboxylate CAS Name: 3-(6-azidohexyl)-5-(5-azidopentoxy)-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(6-azidohexyl)-5-(5-azidopentoxy)-1H-indole-2-carboxylate Traditional Name: 3-(6-azidohexyl)-5-(5-azidopentoxy)-1H-indole-2-carboxylic acid methyl ester Formula: C21H29N7O3 MolecularWeight: 427.50006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)OCCCCCN=[N+]=[N-])CCCCCCN=[N+]=[N-]

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)OCCCCCN=[N+]=[N-])CCCCCCN=[N+]=[N-]

InChI

InChI=1S/C21H29N7O3/c1-30-21(29)20-17(9-5-2-3-6-12-24-27-22)18-15-16(10-11-19(18)26-20)31-14-8-4-7-13-25-28-23/h10-11,15,26H,2-9,12-14H2,1H3