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

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

Systemtic Name:2-[3-[2-(4-tert-butylphenyl)sulfanylphenoxy]pyrrolidin-1-yl]propanoic acid
Openeye Name:2-[3-[2-(4-tert-butylphenyl)sulfanylphenoxy]pyrrolidin-1-yl]propanoic acid
CAS Name:2-[3-[2-[(4-tert-butylphenyl)thio]phenoxy]-1-pyrrolidinyl]propanoic acid
IUPAC Name:2-[3-[2-(4-tert-butylphenyl)sulfanylphenoxy]pyrrolidin-1-yl]propanoic acid
Traditional Name:2-[3-[2-[(4-tert-butylphenyl)thio]phenoxy]pyrrolidino]propionic acid
Formula: C23H29NO3S
MolecularWeight: 399.54626
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCC(C1)OC2=CC=CC=C2SC3=CC=C(C=C3)C(C)(C)C


Isomeric SMILES

CC(C(=O)O)N1CCC(C1)OC2=CC=CC=C2SC3=CC=C(C=C3)C(C)(C)C


InChI

InChI=1S/C23H29NO3S/c1-16(22(25)26)24-14-13-18(15-24)27-20-7-5-6-8-21(20)28-19-11-9-17(10-12-19)23(2,3)4/h5-12,16,18H,13-15H2,1-4H3,(H,25,26)


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