4-oxidanylbutyl 2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate

Systemtic Name: 4-oxidanylbutyl 2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate Openeye Name: 4-hydroxybutyl 2-amino-3-(3,4-dihydroxyphenyl)propanoate CAS Name: 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid 4-hydroxybutyl ester IUPAC Name: 4-hydroxybutyl 2-amino-3-(3,4-dihydroxyphenyl)propanoate Traditional Name: 2-amino-3-(3,4-dihydroxyphenyl)propionic acid 4-hydroxybutyl ester Formula: C13H19NO5 MolecularWeight: 269.29366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)OCCCCO)N)O)O

Isomeric SMILES

C1=CC(=C(C=C1CC(C(=O)OCCCCO)N)O)O

InChI

InChI=1S/C13H19NO5/c14-10(13(18)19-6-2-1-5-15)7-9-3-4-11(16)12(17)8-9/h3-4,8,10,15-17H,1-2,5-7,14H2