3-[[2-[4-(aminomethyl)phenyl]-1-tetradecyl-benzimidazol-5-yl]carbonylamino]propanoic acid dihydrobromide

Systemtic Name: 3-[[2-[4-(aminomethyl)phenyl]-1-tetradecyl-benzimidazol-5-yl]carbonylamino]propanoic acid dihydrobromide Openeye Name: 3-[[2-[4-(aminomethyl)phenyl]-1-tetradecyl-benzimidazole-5-carbonyl]amino]propanoic acid dihydrobromide CAS Name: 3-[[[2-[4-(aminomethyl)phenyl]-1-tetradecyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid dihydrobromide IUPAC Name: 3-[[2-[4-(aminomethyl)phenyl]-1-tetradecylbenzimidazole-5-carbonyl]amino]propanoic acid dihydrobromide Traditional Name: 3-[[2-[4-(aminomethyl)phenyl]-1-myristyl-benzimidazole-5-carbonyl]amino]propionic acid dihydrobromide Formula: C32H48Br2N4O3 MolecularWeight: 696.55652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1C3=CC=C(C=C3)CN.Br.Br

Isomeric SMILES

CCCCCCCCCCCCCCN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1C3=CC=C(C=C3)CN.Br.Br

InChI

InChI=1S/C32H46N4O3.2BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-36-29-19-18-27(32(39)34-21-20-30(37)38)23-28(29)35-31(36)26-16-14-25(24-33)15-17-26;;/h14-19,23H,2-13,20-22,24,33H2,1H3,(H,34,39)(H,37,38);2*1H