3-[[4-(6-fluoranyl-1-pentyl-indol-3-yl)piperidin-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[4-(6-fluoranyl-1-pentyl-indol-3-yl)piperidin-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-(6-fluoro-1-pentyl-indol-3-yl)-1-piperidyl]methyl]benzoic acid CAS Name: 3-[[4-(6-fluoro-1-pentyl-3-indolyl)-1-piperidinyl]methyl]benzoic acid IUPAC Name: 3-[[4-(6-fluoro-1-pentylindol-3-yl)piperidin-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-(1-amyl-6-fluoro-indol-3-yl)piperidino]methyl]benzoic acid Formula: C26H31FN2O2 MolecularWeight: 422.534943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=C(C2=C1C=C(C=C2)F)C3CCN(CC3)CC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CCCCCN1C=C(C2=C1C=C(C=C2)F)C3CCN(CC3)CC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C26H31FN2O2/c1-2-3-4-12-29-18-24(23-9-8-22(27)16-25(23)29)20-10-13-28(14-11-20)17-19-6-5-7-21(15-19)26(30)31/h5-9,15-16,18,20H,2-4,10-14,17H2,1H3,(H,30,31)