2-[3-[2-(4-tert-butylphenyl)sulfanylphenoxy]pyrrolidin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[2-(4-tert-butylphenyl)sulfanylphenoxy]pyrrolidin-1-yl]ethanoic acid Openeye Name: 2-[3-[2-(4-tert-butylphenyl)sulfanylphenoxy]pyrrolidin-1-yl]acetic acid CAS Name: 2-[3-[2-[(4-tert-butylphenyl)thio]phenoxy]-1-pyrrolidinyl]acetic acid IUPAC Name: 2-[3-[2-(4-tert-butylphenyl)sulfanylphenoxy]pyrrolidin-1-yl]acetic acid Traditional Name: 2-[3-[2-[(4-tert-butylphenyl)thio]phenoxy]pyrrolidino]acetic acid Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=CC=CC=C2OC3CCN(C3)CC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=CC=CC=C2OC3CCN(C3)CC(=O)O

InChI

InChI=1S/C22H27NO3S/c1-22(2,3)16-8-10-18(11-9-16)27-20-7-5-4-6-19(20)26-17-12-13-23(14-17)15-21(24)25/h4-11,17H,12-15H2,1-3H3,(H,24,25)