3-cyclobutyl-2-[3-(3-fluorophenyl)-4-[(4-pyridin-3-ylpiperidin-1-yl)methyl]pyrrolidin-1-yl]propanoic acid

Systemtic Name: 3-cyclobutyl-2-[3-(3-fluorophenyl)-4-[(4-pyridin-3-ylpiperidin-1-yl)methyl]pyrrolidin-1-yl]propanoic acid Openeye Name: 3-cyclobutyl-2-[3-(3-fluorophenyl)-4-[[4-(3-pyridyl)-1-piperidyl]methyl]pyrrolidin-1-yl]propanoic acid CAS Name: 3-cyclobutyl-2-[3-(3-fluorophenyl)-4-[[4-(3-pyridinyl)-1-piperidinyl]methyl]-1-pyrrolidinyl]propanoic acid IUPAC Name: 3-cyclobutyl-2-[3-(3-fluorophenyl)-4-[(4-pyridin-3-ylpiperidin-1-yl)methyl]pyrrolidin-1-yl]propanoic acid Traditional Name: 3-cyclobutyl-2-[3-(3-fluorophenyl)-4-[[4-(3-pyridyl)piperidino]methyl]pyrrolidino]propionic acid Formula: C28H36FN3O2 MolecularWeight: 465.602743

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CC(C(=O)O)N2CC(C(C2)C3=CC(=CC=C3)F)CN4CCC(CC4)C5=CN=CC=C5

Isomeric SMILES

C1CC(C1)CC(C(=O)O)N2CC(C(C2)C3=CC(=CC=C3)F)CN4CCC(CC4)C5=CN=CC=C5

InChI

InChI=1S/C28H36FN3O2/c29-25-8-2-6-22(15-25)26-19-32(27(28(33)34)14-20-4-1-5-20)18-24(26)17-31-12-9-21(10-13-31)23-7-3-11-30-16-23/h2-3,6-8,11,15-16,20-21,24,26-27H,1,4-5,9-10,12-14,17-19H2,(H,33,34)