4-methylheptan-4-yl azepane-1-carboxylate

Systemtic Name: 4-methylheptan-4-yl azepane-1-carboxylate Openeye Name: (1-methyl-1-propyl-butyl) azepane-1-carboxylate CAS Name: 1-azepanecarboxylic acid 4-methylheptan-4-yl ester IUPAC Name: 4-methylheptan-4-yl azepane-1-carboxylate Traditional Name: azepane-1-carboxylic acid (1-methyl-1-propyl-butyl) ester Formula: C15H29NO2 MolecularWeight: 255.39626

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(CCC)OC(=O)N1CCCCCC1

Isomeric SMILES

CCCC(C)(CCC)OC(=O)N1CCCCCC1

InChI

InChI=1S/C15H29NO2/c1-4-10-15(3,11-5-2)18-14(17)16-12-8-6-7-9-13-16/h4-13H2,1-3H3