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(2S)-2-azanyl-3-(3-butoxy-4-oxidanyl-phenyl)propanoic acid

(2S)-2-azanyl-3-(3-butoxy-4-oxidanyl-phenyl)propanoic acid

Systemtic Name:(2S)-2-azanyl-3-(3-butoxy-4-oxidanyl-phenyl)propanoic acid
Openeye Name:(2S)-2-amino-3-(3-butoxy-4-hydroxy-phenyl)propanoic acid
CAS Name:(2S)-2-amino-3-(3-butoxy-4-hydroxyphenyl)propanoic acid
IUPAC Name:(2S)-2-amino-3-(3-butoxy-4-hydroxyphenyl)propanoic acid
Traditional Name:(2S)-2-amino-3-(3-butoxy-4-hydroxy-phenyl)propionic acid
Formula: C13H19NO4
MolecularWeight: 253.29426
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)CC(C(=O)O)N)O


Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C[C@@H](C(=O)O)N)O


InChI

InChI=1S/C13H19NO4/c1-2-3-6-18-12-8-9(4-5-11(12)15)7-10(14)13(16)17/h4-5,8,10,15H,2-3,6-7,14H2,1H3,(H,16,17)/t10-/m0/s1


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