5-[2-(acetyloxymethyl)-5-[[4-(diphenylmethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]pentanoate

Systemtic Name: 5-[2-(acetyloxymethyl)-5-[[4-(diphenylmethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]pentanoate Openeye Name: 5-[2-(acetoxymethyl)-5-[(4-benzhydrylpiperazin-1-yl)methyl]benzimidazol-1-yl]pentanoate CAS Name: 5-[2-(acetyloxymethyl)-5-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-1-benzimidazolyl]pentanoate IUPAC Name: 5-[2-(acetyloxymethyl)-5-[(4-benzhydrylpiperazin-1-yl)methyl]benzimidazol-1-yl]pentanoate Traditional Name: 5-[2-(acetoxymethyl)-5-[(4-benzhydrylpiperazino)methyl]benzimidazol-1-yl]valerate Formula: C33H37N4O4- MolecularWeight: 553.67128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=NC2=C(N1CCCCC(=O)[O-])C=CC(=C2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)OCC1=NC2=C(N1CCCCC(=O)[O-])C=CC(=C2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H38N4O4/c1-25(38)41-24-31-34-29-22-26(15-16-30(29)37(31)17-9-8-14-32(39)40)23-35-18-20-36(21-19-35)33(27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-7,10-13,15-16,22,33H,8-9,14,17-21,23-24H2,1H3,(H,39,40)/p-1