(2R)-2-azaniumyl-2-(4-butoxy-3-ethoxy-phenyl)ethanoate

Systemtic Name: (2R)-2-azaniumyl-2-(4-butoxy-3-ethoxy-phenyl)ethanoate Openeye Name: (2R)-2-azaniumyl-2-(4-butoxy-3-ethoxy-phenyl)acetate CAS Name: (2R)-2-ammonio-2-(4-butoxy-3-ethoxyphenyl)acetate IUPAC Name: (2R)-2-azaniumyl-2-(4-butoxy-3-ethoxyphenyl)acetate Traditional Name: (2R)-2-ammonio-2-(4-butoxy-3-ethoxy-phenyl)acetate Formula: C14H21NO4 MolecularWeight: 267.32084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(C(=O)[O-])[NH3+])OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)[C@H](C(=O)[O-])[NH3+])OCC

InChI

InChI=1S/C14H21NO4/c1-3-5-8-19-11-7-6-10(13(15)14(16)17)9-12(11)18-4-2/h6-7,9,13H,3-5,8,15H2,1-2H3,(H,16,17)/t13-/m1/s1