2-azanyl-7-[4-(phenylmethyl)phenoxy]heptanoic acid hydrobromide

Systemtic Name: 2-azanyl-7-[4-(phenylmethyl)phenoxy]heptanoic acid hydrobromide Openeye Name: 2-amino-7-(4-benzylphenoxy)heptanoic acid hydrobromide CAS Name: 2-amino-7-[4-(phenylmethyl)phenoxy]heptanoic acid hydrobromide IUPAC Name: 2-amino-7-(4-benzylphenoxy)heptanoic acid hydrobromide Traditional Name: 2-amino-7-(4-benzylphenoxy)enanthic acid hydrobromide Formula: C20H26BrNO3 MolecularWeight: 408.32934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(C=C2)OCCCCCC(C(=O)O)N.Br

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)OCCCCCC(C(=O)O)N.Br

InChI

InChI=1S/C20H25NO3.BrH/c21-19(20(22)23)9-5-2-6-14-24-18-12-10-17(11-13-18)15-16-7-3-1-4-8-16;/h1,3-4,7-8,10-13,19H,2,5-6,9,14-15,21H2,(H,22,23);1H