2-fluoranyl-5-[[4-[1-(pyridin-4-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid

Systemtic Name: 2-fluoranyl-5-[[4-[1-(pyridin-4-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 2-fluoro-5-[[4-[1-(4-pyridylmethyl)indol-3-yl]-1-piperidyl]methyl]benzoic acid CAS Name: 2-fluoro-5-[[4-[1-(pyridin-4-ylmethyl)-3-indolyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 2-fluoro-5-[[4-[1-(pyridin-4-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 2-fluoro-5-[[4-[1-(4-pyridylmethyl)indol-3-yl]piperidino]methyl]benzoic acid Formula: C27H26FN3O2 MolecularWeight: 443.512643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4=CC=NC=C4)CC5=CC(=C(C=C5)F)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4=CC=NC=C4)CC5=CC(=C(C=C5)F)C(=O)O

InChI

InChI=1S/C27H26FN3O2/c28-25-6-5-20(15-23(25)27(32)33)16-30-13-9-21(10-14-30)24-18-31(17-19-7-11-29-12-8-19)26-4-2-1-3-22(24)26/h1-8,11-12,15,18,21H,9-10,13-14,16-17H2,(H,32,33)