3-[2-[bis(2-methylpropyl)azaniumyl]ethoxy]benzoate

Systemtic Name: 3-[2-[bis(2-methylpropyl)azaniumyl]ethoxy]benzoate Openeye Name: 3-[2-(diisobutylammonio)ethoxy]benzoate CAS Name: 3-[2-[bis(2-methylpropyl)ammonio]ethoxy]benzoate IUPAC Name: 3-[2-[bis(2-methylpropyl)azaniumyl]ethoxy]benzoate Traditional Name: 3-[2-(diisobutylammonio)ethoxy]benzoate Formula: C17H27NO3 MolecularWeight: 293.40118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CCOC1=CC=CC(=C1)C(=O)[O-])CC(C)C

Isomeric SMILES

CC(C)C[NH+](CCOC1=CC=CC(=C1)C(=O)[O-])CC(C)C

InChI

InChI=1S/C17H27NO3/c1-13(2)11-18(12-14(3)4)8-9-21-16-7-5-6-15(10-16)17(19)20/h5-7,10,13-14H,8-9,11-12H2,1-4H3,(H,19,20)