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

Systemtic Name: 4-bromanyl-3-[[4-[1-(pyridin-3-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 4-bromo-3-[[4-[1-(3-pyridylmethyl)indol-3-yl]-1-piperidyl]methyl]benzoic acid CAS Name: 4-bromo-3-[[4-[1-(3-pyridinylmethyl)-3-indolyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 4-bromo-3-[[4-[1-(pyridin-3-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 4-bromo-3-[[4-[1-(3-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=CN=CC=C4)CC5=C(C=CC(=C5)C(=O)O)Br

Isomeric SMILES

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

InChI

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