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(3S)-3-azaniumyl-3-(4-butoxy-3-ethoxy-phenyl)propanoate

(3S)-3-azaniumyl-3-(4-butoxy-3-ethoxy-phenyl)propanoate

Systemtic Name:(3S)-3-azaniumyl-3-(4-butoxy-3-ethoxy-phenyl)propanoate
Openeye Name:(3S)-3-azaniumyl-3-(4-butoxy-3-ethoxy-phenyl)propanoate
CAS Name:(3S)-3-ammonio-3-(4-butoxy-3-ethoxyphenyl)propanoate
IUPAC Name:(3S)-3-azaniumyl-3-(4-butoxy-3-ethoxyphenyl)propanoate
Traditional Name:(3S)-3-ammonio-3-(4-butoxy-3-ethoxy-phenyl)propionate
Formula: C15H23NO4
MolecularWeight: 281.34742
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C15H23NO4/c1-3-5-8-20-13-7-6-11(9-14(13)19-4-2)12(16)10-15(17)18/h6-7,9,12H,3-5,8,10,16H2,1-2H3,(H,17,18)/t12-/m0/s1


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