2-[[4-[1-(3-methylbutyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid

Systemtic Name: 2-[[4-[1-(3-methylbutyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 2-[[4-(1-isopentylindol-3-yl)-1-piperidyl]methyl]benzoic acid CAS Name: 2-[[4-[1-(3-methylbutyl)-3-indolyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 2-[[4-[1-(3-methylbutyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 2-[[4-(1-isoamylindol-3-yl)piperidino]methyl]benzoic acid Formula: C26H32N2O2 MolecularWeight: 404.54448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C2=CC=CC=C21)C3CCN(CC3)CC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC(C)CCN1C=C(C2=CC=CC=C21)C3CCN(CC3)CC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C26H32N2O2/c1-19(2)11-16-28-18-24(23-9-5-6-10-25(23)28)20-12-14-27(15-13-20)17-21-7-3-4-8-22(21)26(29)30/h3-10,18-20H,11-17H2,1-2H3,(H,29,30)