2,5,8-trimethylnonan-5-yl azepane-1-carboxylate

Systemtic Name: 2,5,8-trimethylnonan-5-yl azepane-1-carboxylate Openeye Name: (1-isopentyl-1,4-dimethyl-pentyl) azepane-1-carboxylate CAS Name: 1-azepanecarboxylic acid 2,5,8-trimethylnonan-5-yl ester IUPAC Name: 2,5,8-trimethylnonan-5-yl azepane-1-carboxylate Traditional Name: azepane-1-carboxylic acid (1-isoamyl-1,4-dimethyl-pentyl) ester Formula: C19H37NO2 MolecularWeight: 311.50258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H37NO2/c1-16(2)10-12-19(5,13-11-17(3)4)22-18(21)20-14-8-6-7-9-15-20/h16-17H,6-15H2,1-5H3