2-[azanyl-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]methyl]butanoate hydrochloride

Systemtic Name: 2-[azanyl-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]methyl]butanoate hydrochloride Openeye Name: 2-[amino-(3,5-dibromo-4-hydroxy-phenyl)methyl]butanoate hydrochloride CAS Name: 2-[amino-(3,5-dibromo-4-hydroxyphenyl)methyl]butanoate hydrochloride IUPAC Name: 2-[amino-(3,5-dibromo-4-hydroxyphenyl)methyl]butanoate hydrochloride Traditional Name: 2-[amino-(3,5-dibromo-4-hydroxy-phenyl)methyl]butyrate hydrochloride Formula: C11H13Br2ClNO3- MolecularWeight: 402.48682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC(=C(C(=C1)Br)O)Br)N)C(=O)[O-].Cl

Isomeric SMILES

CCC(C(C1=CC(=C(C(=C1)Br)O)Br)N)C(=O)[O-].Cl

InChI

InChI=1S/C11H13Br2NO3.ClH/c1-2-6(11(16)17)9(14)5-3-7(12)10(15)8(13)4-5;/h3-4,6,9,15H,2,14H2,1H3,(H,16,17);1H/p-1