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

Systemtic Name: 4-bromanyl-3-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]benzoic acid Openeye Name: 4-bromo-3-[[4-(1H-indol-3-yl)-1-piperidyl]methyl]benzoic acid CAS Name: 4-bromo-3-[[4-(1H-indol-3-yl)-1-piperidinyl]methyl]benzoic acid IUPAC Name: 4-bromo-3-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]benzoic acid Traditional Name: 4-bromo-3-[[4-(1H-indol-3-yl)piperidino]methyl]benzoic acid Formula: C21H21BrN2O2 MolecularWeight: 413.30764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CNC3=CC=CC=C32)CC4=C(C=CC(=C4)C(=O)O)Br

Isomeric SMILES

C1CN(CCC1C2=CNC3=CC=CC=C32)CC4=C(C=CC(=C4)C(=O)O)Br

InChI

InChI=1S/C21H21BrN2O2/c22-19-6-5-15(21(25)26)11-16(19)13-24-9-7-14(8-10-24)18-12-23-20-4-2-1-3-17(18)20/h1-6,11-12,14,23H,7-10,13H2,(H,25,26)