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

Systemtic Name: 5-[[4-[6-fluoranyl-1-(furan-2-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[4-[6-fluoro-1-(2-furylmethyl)indol-3-yl]-1-piperidyl]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[4-[6-fluoro-1-(2-furanylmethyl)-3-indolyl]-1-piperidinyl]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[4-[6-fluoro-1-(furan-2-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[4-[6-fluoro-1-(2-furfuryl)indol-3-yl]piperidino]methyl]-2-methoxy-benzoic acid Formula: C27H27FN2O4 MolecularWeight: 462.512683

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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)CC5=CC=CO5)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCC(CC2)C3=CN(C4=C3C=CC(=C4)F)CC5=CC=CO5)C(=O)O

InChI

InChI=1S/C27H27FN2O4/c1-33-26-7-4-18(13-23(26)27(31)32)15-29-10-8-19(9-11-29)24-17-30(16-21-3-2-12-34-21)25-14-20(28)5-6-22(24)25/h2-7,12-14,17,19H,8-11,15-16H2,1H3,(H,31,32)