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

Systemtic Name: 5-[[4-(1-butyl-6-fluoranyl-indol-3-yl)piperidin-1-yl]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[4-(1-butyl-6-fluoro-indol-3-yl)-1-piperidyl]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[4-(1-butyl-6-fluoro-3-indolyl)-1-piperidinyl]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[4-(1-butyl-6-fluoroindol-3-yl)piperidin-1-yl]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[4-(1-butyl-6-fluoro-indol-3-yl)piperidino]methyl]-2-methoxy-benzoic acid Formula: C26H31FN2O3 MolecularWeight: 438.534343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C2=C1C=C(C=C2)F)C3CCN(CC3)CC4=CC(=C(C=C4)OC)C(=O)O

Isomeric SMILES

CCCCN1C=C(C2=C1C=C(C=C2)F)C3CCN(CC3)CC4=CC(=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C26H31FN2O3/c1-3-4-11-29-17-23(21-7-6-20(27)15-24(21)29)19-9-12-28(13-10-19)16-18-5-8-25(32-2)22(14-18)26(30)31/h5-8,14-15,17,19H,3-4,9-13,16H2,1-2H3,(H,30,31)