2-[3-[[4-[3-(2,1,3-benzoxadiazol-5-yl)propyl]piperidin-1-yl]methyl]-4-phenyl-cyclopentyl]-3-cyclobutyl-propanoic acid

Systemtic Name: 2-[3-[[4-[3-(2,1,3-benzoxadiazol-5-yl)propyl]piperidin-1-yl]methyl]-4-phenyl-cyclopentyl]-3-cyclobutyl-propanoic acid Openeye Name: 2-[3-[[4-[3-(2,1,3-benzoxadiazol-5-yl)propyl]-1-piperidyl]methyl]-4-phenyl-cyclopentyl]-3-cyclobutyl-propanoic acid CAS Name: 2-[3-[[4-[3-(2,1,3-benzoxadiazol-5-yl)propyl]-1-piperidinyl]methyl]-4-phenylcyclopentyl]-3-cyclobutylpropanoic acid IUPAC Name: 2-[3-[[4-[3-(2,1,3-benzoxadiazol-5-yl)propyl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-3-cyclobutylpropanoic acid Traditional Name: 2-[3-[[4-(3-benzofurazan-5-ylpropyl)piperidino]methyl]-4-phenyl-cyclopentyl]-3-cyclobutyl-propionic acid Formula: C33H43N3O3 MolecularWeight: 529.71282

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CC(C2CC(C(C2)C3=CC=CC=C3)CN4CCC(CC4)CCCC5=CC6=NON=C6C=C5)C(=O)O

Isomeric SMILES

C1CC(C1)CC(C2CC(C(C2)C3=CC=CC=C3)CN4CCC(CC4)CCCC5=CC6=NON=C6C=C5)C(=O)O

InChI

InChI=1S/C33H43N3O3/c37-33(38)30(18-24-7-5-8-24)27-20-28(29(21-27)26-10-2-1-3-11-26)22-36-16-14-23(15-17-36)6-4-9-25-12-13-31-32(19-25)35-39-34-31/h1-3,10-13,19,23-24,27-30H,4-9,14-18,20-22H2,(H,37,38)