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

Systemtic Name: 4-bromanyl-3-[[4-[1-(pyridin-4-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 4-bromo-3-[[4-[1-(4-pyridylmethyl)indol-3-yl]-1-piperidyl]methyl]benzoic acid CAS Name: 4-bromo-3-[[4-[1-(pyridin-4-ylmethyl)-3-indolyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 4-bromo-3-[[4-[1-(pyridin-4-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 4-bromo-3-[[4-[1-(4-pyridylmethyl)indol-3-yl]piperidino]methyl]benzoic acid Formula: C27H26BrN3O2 MolecularWeight: 504.41824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26BrN3O2/c28-25-6-5-21(27(32)33)15-22(25)17-30-13-9-20(10-14-30)24-18-31(16-19-7-11-29-12-8-19)26-4-2-1-3-23(24)26/h1-8,11-12,15,18,20H,9-10,13-14,16-17H2,(H,32,33)