3-[[4-(1-pentylindol-3-yl)piperidin-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[4-(1-pentylindol-3-yl)piperidin-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-(1-pentylindol-3-yl)-1-piperidyl]methyl]benzoic acid CAS Name: 3-[[4-(1-pentyl-3-indolyl)-1-piperidinyl]methyl]benzoic acid IUPAC Name: 3-[[4-(1-pentylindol-3-yl)piperidin-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-(1-amylindol-3-yl)piperidino]methyl]benzoic acid Formula: C26H32N2O2 MolecularWeight: 404.54448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=C(C2=CC=CC=C21)C3CCN(CC3)CC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CCCCCN1C=C(C2=CC=CC=C21)C3CCN(CC3)CC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C26H32N2O2/c1-2-3-6-14-28-19-24(23-10-4-5-11-25(23)28)21-12-15-27(16-13-21)18-20-8-7-9-22(17-20)26(29)30/h4-5,7-11,17,19,21H,2-3,6,12-16,18H2,1H3,(H,29,30)