butyl (2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate hydrochloride

Systemtic Name: butyl (2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate hydrochloride Openeye Name: butyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate hydrochloride CAS Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid butyl ester hydrochloride IUPAC Name: butyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate hydrochloride Traditional Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)propionic acid butyl ester hydrochloride Formula: C13H20ClNO4 MolecularWeight: 289.7552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CC1=CC(=C(C=C1)O)O)N.Cl

Isomeric SMILES

CCCCOC(=O)[C@H](CC1=CC(=C(C=C1)O)O)N.Cl

InChI

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