4-azanyl-2,3-dimethyl-5-octyl-benzoate

Systemtic Name: 4-azanyl-2,3-dimethyl-5-octyl-benzoate Openeye Name: 4-amino-2,3-dimethyl-5-octyl-benzoate CAS Name: 4-amino-2,3-dimethyl-5-octylbenzoate IUPAC Name: 4-amino-2,3-dimethyl-5-octylbenzoate Traditional Name: 4-amino-2,3-dimethyl-5-octyl-benzoate Formula: C17H26NO2- MolecularWeight: 276.39384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C(=C1)C(=O)[O-])C)C)N

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C(=C1)C(=O)[O-])C)C)N

InChI

InChI=1S/C17H27NO2/c1-4-5-6-7-8-9-10-14-11-15(17(19)20)12(2)13(3)16(14)18/h11H,4-10,18H2,1-3H3,(H,19,20)/p-1