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

Systemtic Name: 3-cyclopropyl-3-[6-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]propanoic acid Openeye Name: 3-[6-[(4-benzhydrylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-3-cyclopropyl-propanoic acid CAS Name: 3-cyclopropyl-3-[6-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-1H-benzimidazol-2-yl]propanoic acid IUPAC Name: 3-[6-[(4-benzhydrylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-3-cyclopropylpropanoic acid Traditional Name: 3-[6-[(4-benzhydrylpiperazino)methyl]-1H-benzimidazol-2-yl]-3-cyclopropyl-propionic acid Formula: C31H34N4O2 MolecularWeight: 494.62726

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(CC(=O)O)C2=NC3=C(N2)C=C(C=C3)CN4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CC1C(CC(=O)O)C2=NC3=C(N2)C=C(C=C3)CN4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H34N4O2/c36-29(37)20-26(23-12-13-23)31-32-27-14-11-22(19-28(27)33-31)21-34-15-17-35(18-16-34)30(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-11,14,19,23,26,30H,12-13,15-18,20-21H2,(H,32,33)(H,36,37)