4-bromanyl-3-[[4-[1-(thiophen-2-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid

Systemtic Name: 4-bromanyl-3-[[4-[1-(thiophen-2-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 4-bromo-3-[[4-[1-(2-thienylmethyl)indol-3-yl]-1-piperidyl]methyl]benzoic acid CAS Name: 4-bromo-3-[[4-[1-(thiophen-2-ylmethyl)-3-indolyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 4-bromo-3-[[4-[1-(thiophen-2-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 4-bromo-3-[[4-[1-(2-thenyl)indol-3-yl]piperidino]methyl]benzoic acid Formula: C26H25BrN2O2S MolecularWeight: 509.4579

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4=CC=CS4)CC5=C(C=CC(=C5)C(=O)O)Br

Isomeric SMILES

C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4=CC=CS4)CC5=C(C=CC(=C5)C(=O)O)Br

InChI

InChI=1S/C26H25BrN2O2S/c27-24-8-7-19(26(30)31)14-20(24)15-28-11-9-18(10-12-28)23-17-29(16-21-4-3-13-32-21)25-6-2-1-5-22(23)25/h1-8,13-14,17-18H,9-12,15-16H2,(H,30,31)