3-[6-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-4-methyl-pentanoic acid

Systemtic Name: 3-[6-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-4-methyl-pentanoic acid Openeye Name: 3-[6-[(4-benzhydrylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-4-methyl-pentanoic acid CAS Name: 3-[6-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-1H-benzimidazol-2-yl]-4-methylpentanoic acid IUPAC Name: 3-[6-[(4-benzhydrylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-4-methylpentanoic acid Traditional Name: 3-[6-[(4-benzhydrylpiperazino)methyl]-1H-benzimidazol-2-yl]-4-methyl-valeric acid Formula: C31H36N4O2 MolecularWeight: 496.64314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)O)C1=NC2=C(N1)C=C(C=C2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)C(CC(=O)O)C1=NC2=C(N1)C=C(C=C2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H36N4O2/c1-22(2)26(20-29(36)37)31-32-27-14-13-23(19-28(27)33-31)21-34-15-17-35(18-16-34)30(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-14,19,22,26,30H,15-18,20-21H2,1-2H3,(H,32,33)(H,36,37)