2-[2-[[2-(4-tert-butylphenyl)sulfanylphenoxy]methyl]piperidin-1-yl]ethanoic acid

Systemtic Name: 2-[2-[[2-(4-tert-butylphenyl)sulfanylphenoxy]methyl]piperidin-1-yl]ethanoic acid Openeye Name: 2-[2-[[2-(4-tert-butylphenyl)sulfanylphenoxy]methyl]-1-piperidyl]acetic acid CAS Name: 2-[2-[[2-[(4-tert-butylphenyl)thio]phenoxy]methyl]-1-piperidinyl]acetic acid IUPAC Name: 2-[2-[[2-(4-tert-butylphenyl)sulfanylphenoxy]methyl]piperidin-1-yl]acetic acid Traditional Name: 2-[2-[[2-[(4-tert-butylphenyl)thio]phenoxy]methyl]piperidino]acetic acid Formula: C24H31NO3S MolecularWeight: 413.57284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=CC=CC=C2OCC3CCCCN3CC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=CC=CC=C2OCC3CCCCN3CC(=O)O

InChI

InChI=1S/C24H31NO3S/c1-24(2,3)18-11-13-20(14-12-18)29-22-10-5-4-9-21(22)28-17-19-8-6-7-15-25(19)16-23(26)27/h4-5,9-14,19H,6-8,15-17H2,1-3H3,(H,26,27)