2-[2-[4-[1-[(5-chloranylthiophen-2-yl)methyl]-6-fluoranyl-indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid

Systemtic Name: 2-[2-[4-[1-[(5-chloranylthiophen-2-yl)methyl]-6-fluoranyl-indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Openeye Name: 2-[2-[4-[1-[(5-chloro-2-thienyl)methyl]-6-fluoro-indol-3-yl]-1-piperidyl]ethoxy]benzoic acid CAS Name: 2-[2-[4-[1-[(5-chloro-2-thiophenyl)methyl]-6-fluoro-3-indolyl]-1-piperidinyl]ethoxy]benzoic acid IUPAC Name: 2-[2-[4-[1-[(5-chlorothiophen-2-yl)methyl]-6-fluoroindol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Traditional Name: 2-[2-[4-[1-[(5-chloro-2-thienyl)methyl]-6-fluoro-indol-3-yl]piperidino]ethoxy]benzoic acid Formula: C27H26ClFN2O3S MolecularWeight: 513.023343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CN(C3=C2C=CC(=C3)F)CC4=CC=C(S4)Cl)CCOC5=CC=CC=C5C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CN(C3=C2C=CC(=C3)F)CC4=CC=C(S4)Cl)CCOC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C27H26ClFN2O3S/c28-26-8-6-20(35-26)16-31-17-23(21-7-5-19(29)15-24(21)31)18-9-11-30(12-10-18)13-14-34-25-4-2-1-3-22(25)27(32)33/h1-8,15,17-18H,9-14,16H2,(H,32,33)