2-[[(2R)-butan-2-yl]-[(4-ethoxyphenyl)methyl]azaniumyl]ethanoate

Systemtic Name: 2-[[(2R)-butan-2-yl]-[(4-ethoxyphenyl)methyl]azaniumyl]ethanoate Openeye Name: 2-[(4-ethoxyphenyl)methyl-[(1R)-1-methylpropyl]ammonio]acetate CAS Name: 2-[[(2R)-butan-2-yl]-[(4-ethoxyphenyl)methyl]ammonio]acetate IUPAC Name: 2-[[(2R)-butan-2-yl]-[(4-ethoxyphenyl)methyl]azaniumyl]acetate Traditional Name: 2-[(4-ethoxybenzyl)-[(1R)-1-methylpropyl]ammonio]acetate Formula: C15H23NO3 MolecularWeight: 265.34802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+](CC1=CC=C(C=C1)OCC)CC(=O)[O-]

Isomeric SMILES

CC[C@@H](C)[NH+](CC1=CC=C(C=C1)OCC)CC(=O)[O-]

InChI

InChI=1S/C15H23NO3/c1-4-12(3)16(11-15(17)18)10-13-6-8-14(9-7-13)19-5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,18)/t12-/m1/s1