5-[[4-[6-fluoranyl-1-(2-thiophen-2-ylethyl)indol-3-yl]piperidin-1-yl]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[4-[6-fluoranyl-1-(2-thiophen-2-ylethyl)indol-3-yl]piperidin-1-yl]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[4-[6-fluoro-1-[2-(2-thienyl)ethyl]indol-3-yl]-1-piperidyl]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[4-[6-fluoro-1-(2-thiophen-2-ylethyl)-3-indolyl]-1-piperidinyl]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[4-[6-fluoro-1-(2-thiophen-2-ylethyl)indol-3-yl]piperidin-1-yl]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[4-[6-fluoro-1-[2-(2-thienyl)ethyl]indol-3-yl]piperidino]methyl]-2-methoxy-benzoic acid Formula: C28H29FN2O3S MolecularWeight: 492.604863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCC(CC2)C3=CN(C4=C3C=CC(=C4)F)CCC5=CC=CS5)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCC(CC2)C3=CN(C4=C3C=CC(=C4)F)CCC5=CC=CS5)C(=O)O

InChI

InChI=1S/C28H29FN2O3S/c1-34-27-7-4-19(15-24(27)28(32)33)17-30-11-8-20(9-12-30)25-18-31(13-10-22-3-2-14-35-22)26-16-21(29)5-6-23(25)26/h2-7,14-16,18,20H,8-13,17H2,1H3,(H,32,33)