tert-butyl 2-ethynylazepane-1-carboxylate

Systemtic Name: tert-butyl 2-ethynylazepane-1-carboxylate Openeye Name: tert-butyl 2-ethynylazepane-1-carboxylate CAS Name: 2-ethynyl-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-ethynylazepane-1-carboxylate Traditional Name: 2-ethynylazepane-1-carboxylic acid tert-butyl ester Formula: C13H21NO2 MolecularWeight: 223.31134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCCC1C#C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCCCC1C#C

InChI

InChI=1S/C13H21NO2/c1-5-11-9-7-6-8-10-14(11)12(15)16-13(2,3)4/h1,11H,6-10H2,2-4H3