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

Systemtic Name: 3-[6-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]octanoate Openeye Name: 3-[6-[(4-benzhydrylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]octanoate CAS Name: 3-[6-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-1H-benzimidazol-2-yl]octanoate IUPAC Name: 3-[6-[(4-benzhydrylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]octanoate Traditional Name: 3-[6-[(4-benzhydrylpiperazino)methyl]-1H-benzimidazol-2-yl]caprylate Formula: C33H39N4O2- MolecularWeight: 523.68836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)[O-])C1=NC2=C(N1)C=C(C=C2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCCC(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/C33H40N4O2/c1-2-3-6-15-28(23-31(38)39)33-34-29-17-16-25(22-30(29)35-33)24-36-18-20-37(21-19-36)32(26-11-7-4-8-12-26)27-13-9-5-10-14-27/h4-5,7-14,16-17,22,28,32H,2-3,6,15,18-21,23-24H2,1H3,(H,34,35)(H,38,39)/p-1