[2-(phenylcarbonyl)phenyl] 6-azanyl-4-carbamimidoyl-hexanoate dihydrobromide

Systemtic Name: [2-(phenylcarbonyl)phenyl] 6-azanyl-4-carbamimidoyl-hexanoate dihydrobromide Openeye Name: (2-benzoylphenyl) 6-amino-4-carbamimidoyl-hexanoate dihydrobromide CAS Name: 6-amino-4-carbamimidoylhexanoic acid (2-benzoylphenyl) ester dihydrobromide IUPAC Name: (2-benzoylphenyl) 6-amino-4-carbamimidoylhexanoate dihydrobromide Traditional Name: 4-amidino-6-amino-hexanoic acid (2-benzoylphenyl) ester dihydrobromide Formula: C20H25Br2N3O3 MolecularWeight: 515.2388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2OC(=O)CCC(CCN)C(=N)N.Br.Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2OC(=O)CCC(CCN)C(=N)N.Br.Br

InChI

InChI=1S/C20H23N3O3.2BrH/c21-13-12-15(20(22)23)10-11-18(24)26-17-9-5-4-8-16(17)19(25)14-6-2-1-3-7-14;;/h1-9,15H,10-13,21H2,(H3,22,23);2*1H