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

Systemtic Name: 2-[3-[[4-[3-(2,1,3-benzoxadiazol-5-yl)propyl]piperidin-1-yl]methyl]-4-phenyl-cyclopentyl]-3-cyclopropyl-propanoic acid Openeye Name: 2-[3-[[4-[3-(2,1,3-benzoxadiazol-5-yl)propyl]-1-piperidyl]methyl]-4-phenyl-cyclopentyl]-3-cyclopropyl-propanoic acid CAS Name: 2-[3-[[4-[3-(2,1,3-benzoxadiazol-5-yl)propyl]-1-piperidinyl]methyl]-4-phenylcyclopentyl]-3-cyclopropylpropanoic acid IUPAC Name: 2-[3-[[4-[3-(2,1,3-benzoxadiazol-5-yl)propyl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-3-cyclopropylpropanoic acid Traditional Name: 2-[3-[[4-(3-benzofurazan-5-ylpropyl)piperidino]methyl]-4-phenyl-cyclopentyl]-3-cyclopropyl-propionic acid Formula: C32H41N3O3 MolecularWeight: 515.68624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC(C2CC(C(C2)C3=CC=CC=C3)CN4CCC(CC4)CCCC5=CC6=NON=C6C=C5)C(=O)O

Isomeric SMILES

C1CC1CC(C2CC(C(C2)C3=CC=CC=C3)CN4CCC(CC4)CCCC5=CC6=NON=C6C=C5)C(=O)O

InChI

InChI=1S/C32H41N3O3/c36-32(37)29(17-24-9-10-24)26-19-27(28(20-26)25-7-2-1-3-8-25)21-35-15-13-22(14-16-35)5-4-6-23-11-12-30-31(18-23)34-38-33-30/h1-3,7-8,11-12,18,22,24,26-29H,4-6,9-10,13-17,19-21H2,(H,36,37)