(2-phenylbenzimidazol-1-yl) 2-[octyl(2H-1,2,3,4-tetrazol-5-yl)amino]-3-phenyl-propanoate

Systemtic Name: (2-phenylbenzimidazol-1-yl) 2-[octyl(2H-1,2,3,4-tetrazol-5-yl)amino]-3-phenyl-propanoate Openeye Name: (2-phenylbenzimidazol-1-yl) 2-[octyl(2H-tetrazol-5-yl)amino]-3-phenyl-propanoate CAS Name: 2-[octyl(2H-tetrazol-5-yl)amino]-3-phenylpropanoic acid (2-phenyl-1-benzimidazolyl) ester IUPAC Name: (2-phenylbenzimidazol-1-yl) 2-[octyl(2H-tetrazol-5-yl)amino]-3-phenylpropanoate Traditional Name: 2-[octyl(2H-tetrazol-5-yl)amino]-3-phenyl-propionic acid (2-phenylbenzimidazol-1-yl) ester Formula: C31H35N7O2 MolecularWeight: 537.6553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(C1=NNN=N1)C(CC2=CC=CC=C2)C(=O)ON3C4=CC=CC=C4N=C3C5=CC=CC=C5

Isomeric SMILES

CCCCCCCCN(C1=NNN=N1)C(CC2=CC=CC=C2)C(=O)ON3C4=CC=CC=C4N=C3C5=CC=CC=C5

InChI

InChI=1S/C31H35N7O2/c1-2-3-4-5-6-15-22-37(31-33-35-36-34-31)28(23-24-16-9-7-10-17-24)30(39)40-38-27-21-14-13-20-26(27)32-29(38)25-18-11-8-12-19-25/h7-14,16-21,28H,2-6,15,22-23H2,1H3,(H,33,34,35,36)