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(3S)-3-azaniumyl-3-(3,4-diethoxyphenyl)propanoate

(3S)-3-azaniumyl-3-(3,4-diethoxyphenyl)propanoate

Systemtic Name:(3S)-3-azaniumyl-3-(3,4-diethoxyphenyl)propanoate
Openeye Name:(3S)-3-azaniumyl-3-(3,4-diethoxyphenyl)propanoate
CAS Name:(3S)-3-ammonio-3-(3,4-diethoxyphenyl)propanoate
IUPAC Name:(3S)-3-azaniumyl-3-(3,4-diethoxyphenyl)propanoate
Traditional Name:(3S)-3-ammonio-3-(3,4-diethoxyphenyl)propionate
Formula: C13H19NO4
MolecularWeight: 253.29426
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CC(=O)[O-])[NH3+])OCC


Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H](CC(=O)[O-])[NH3+])OCC


InChI

InChI=1S/C13H19NO4/c1-3-17-11-6-5-9(7-12(11)18-4-2)10(14)8-13(15)16/h5-7,10H,3-4,8,14H2,1-2H3,(H,15,16)/t10-/m0/s1


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