2-(6-azanyl-2-ethyl-hexyl)-3,4-dimethyl-benzoate

Systemtic Name: 2-(6-azanyl-2-ethyl-hexyl)-3,4-dimethyl-benzoate Openeye Name: 2-(6-amino-2-ethyl-hexyl)-3,4-dimethyl-benzoate CAS Name: 2-(6-amino-2-ethylhexyl)-3,4-dimethylbenzoate IUPAC Name: 2-(6-amino-2-ethylhexyl)-3,4-dimethylbenzoate Traditional Name: 2-(6-amino-2-ethyl-hexyl)-3,4-dimethyl-benzoate Formula: C17H26NO2- MolecularWeight: 276.39384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCN)CC1=C(C=CC(=C1C)C)C(=O)[O-]

Isomeric SMILES

CCC(CCCCN)CC1=C(C=CC(=C1C)C)C(=O)[O-]

InChI

InChI=1S/C17H27NO2/c1-4-14(7-5-6-10-18)11-16-13(3)12(2)8-9-15(16)17(19)20/h8-9,14H,4-7,10-11,18H2,1-3H3,(H,19,20)/p-1