4-(dimethylamino)-2-octan-3-yl-benzoate

Systemtic Name: 4-(dimethylamino)-2-octan-3-yl-benzoate Openeye Name: 4-(dimethylamino)-2-(1-ethylhexyl)benzoate CAS Name: 4-(dimethylamino)-2-octan-3-ylbenzoate IUPAC Name: 4-(dimethylamino)-2-octan-3-ylbenzoate Traditional Name: 4-(dimethylamino)-2-(1-ethylhexyl)benzoate Formula: C17H26NO2- MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=C(C=CC(=C1)N(C)C)C(=O)[O-]

Isomeric SMILES

CCCCCC(CC)C1=C(C=CC(=C1)N(C)C)C(=O)[O-]

InChI

InChI=1S/C17H27NO2/c1-5-7-8-9-13(6-2)16-12-14(18(3)4)10-11-15(16)17(19)20/h10-13H,5-9H2,1-4H3,(H,19,20)/p-1