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

Systemtic Name: 2-[4-[2-(4-tert-butylphenyl)sulfanylphenoxy]piperidin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(4-tert-butylphenyl)sulfanylphenoxy]-1-piperidyl]acetic acid CAS Name: 2-[4-[2-[(4-tert-butylphenyl)thio]phenoxy]-1-piperidinyl]acetic acid IUPAC Name: 2-[4-[2-(4-tert-butylphenyl)sulfanylphenoxy]piperidin-1-yl]acetic acid Traditional Name: 2-[4-[2-[(4-tert-butylphenyl)thio]phenoxy]piperidino]acetic acid Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=CC=CC=C2OC3CCN(CC3)CC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=CC=CC=C2OC3CCN(CC3)CC(=O)O

InChI

InChI=1S/C23H29NO3S/c1-23(2,3)17-8-10-19(11-9-17)28-21-7-5-4-6-20(21)27-18-12-14-24(15-13-18)16-22(25)26/h4-11,18H,12-16H2,1-3H3,(H,25,26)