2,4,6-trimethylheptan-4-yl azepane-1-carboxylate

Systemtic Name: 2,4,6-trimethylheptan-4-yl azepane-1-carboxylate Openeye Name: (1-isobutyl-1,3-dimethyl-butyl) azepane-1-carboxylate CAS Name: 1-azepanecarboxylic acid 2,4,6-trimethylheptan-4-yl ester IUPAC Name: 2,4,6-trimethylheptan-4-yl azepane-1-carboxylate Traditional Name: azepane-1-carboxylic acid (1-isobutyl-1,3-dimethyl-butyl) ester Formula: C17H33NO2 MolecularWeight: 283.44942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)(CC(C)C)OC(=O)N1CCCCCC1

Isomeric SMILES

CC(C)CC(C)(CC(C)C)OC(=O)N1CCCCCC1

InChI

InChI=1S/C17H33NO2/c1-14(2)12-17(5,13-15(3)4)20-16(19)18-10-8-6-7-9-11-18/h14-15H,6-13H2,1-5H3