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

Systemtic Name: 5-[[4-[6-fluoranyl-1-(2-thiophen-3-ylethyl)indol-3-yl]piperidin-1-yl]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[4-[6-fluoro-1-[2-(3-thienyl)ethyl]indol-3-yl]-1-piperidyl]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[4-[6-fluoro-1-[2-(3-thiophenyl)ethyl]-3-indolyl]-1-piperidinyl]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[4-[6-fluoro-1-(2-thiophen-3-ylethyl)indol-3-yl]piperidin-1-yl]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[4-[6-fluoro-1-[2-(3-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=CSC=C5)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCC(CC2)C3=CN(C4=C3C=CC(=C4)F)CCC5=CSC=C5)C(=O)O

InChI

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