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

Systemtic Name: 3-[[4-[6-fluoranyl-1-(2-thiophen-2-ylethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-[6-fluoro-1-[2-(2-thienyl)ethyl]indol-3-yl]-1-piperidyl]methyl]benzoic acid CAS Name: 3-[[4-[6-fluoro-1-(2-thiophen-2-ylethyl)-3-indolyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 3-[[4-[6-fluoro-1-(2-thiophen-2-ylethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-[6-fluoro-1-[2-(2-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=CC=CS4)CC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CN(C3=C2C=CC(=C3)F)CCC4=CC=CS4)CC5=CC=CC(=C5)C(=O)O

InChI

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