tert-butyl 3-hept-2-ynoylpyrrolo[2,3-b]pyridine-1-carboxylate

Systemtic Name: tert-butyl 3-hept-2-ynoylpyrrolo[2,3-b]pyridine-1-carboxylate Openeye Name: tert-butyl 3-hept-2-ynoylpyrrolo[2,3-b]pyridine-1-carboxylate CAS Name: 3-(1-oxohept-2-ynyl)-1-pyrrolo[2,3-b]pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-hept-2-ynoylpyrrolo[2,3-b]pyridine-1-carboxylate Traditional Name: 3-hept-2-ynoylpyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester Formula: C19H22N2O3 MolecularWeight: 326.38958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(=O)C1=CN(C2=C1C=CC=N2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC#CC(=O)C1=CN(C2=C1C=CC=N2)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H22N2O3/c1-5-6-7-8-11-16(22)15-13-21(18(23)24-19(2,3)4)17-14(15)10-9-12-20-17/h9-10,12-13H,5-7H2,1-4H3