3-[[4-[6-fluoranyl-1-(2-thiophen-3-ylethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[4-[6-fluoranyl-1-(2-thiophen-3-ylethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-[6-fluoro-1-[2-(3-thienyl)ethyl]indol-3-yl]-1-piperidyl]methyl]benzoic acid CAS Name: 3-[[4-[6-fluoro-1-[2-(3-thiophenyl)ethyl]-3-indolyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 3-[[4-[6-fluoro-1-(2-thiophen-3-ylethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-[6-fluoro-1-[2-(3-thienyl)ethyl]indol-3-yl]piperidino]methyl]benzoic acid Formula: C27H27FN2O2S MolecularWeight: 462.578883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CN(C3=C2C=CC(=C3)F)CCC4=CSC=C4)CC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CN(C3=C2C=CC(=C3)F)CCC4=CSC=C4)CC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C27H27FN2O2S/c28-23-4-5-24-25(17-30(26(24)15-23)12-6-19-9-13-33-18-19)21-7-10-29(11-8-21)16-20-2-1-3-22(14-20)27(31)32/h1-5,9,13-15,17-18,21H,6-8,10-12,16H2,(H,31,32)