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2-[3-[4-(2-pyridin-4-ylethyl)phenoxy]propylsulfanyl]benzoic acid

2-[3-[4-(2-pyridin-4-ylethyl)phenoxy]propylsulfanyl]benzoic acid

Systemtic Name:2-[3-[4-(2-pyridin-4-ylethyl)phenoxy]propylsulfanyl]benzoic acid
Openeye Name:2-[3-[4-[2-(4-pyridyl)ethyl]phenoxy]propylsulfanyl]benzoic acid
CAS Name:2-[3-[4-(2-pyridin-4-ylethyl)phenoxy]propylthio]benzoic acid
IUPAC Name:2-[3-[4-(2-pyridin-4-ylethyl)phenoxy]propylsulfanyl]benzoic acid
Traditional Name:2-[3-[4-[2-(4-pyridyl)ethyl]phenoxy]propylthio]benzoic acid
Formula: C23H23NO3S
MolecularWeight: 393.49862
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCCCOC2=CC=C(C=C2)CCC3=CC=NC=C3


Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCCCOC2=CC=C(C=C2)CCC3=CC=NC=C3


InChI

InChI=1S/C23H23NO3S/c25-23(26)21-4-1-2-5-22(21)28-17-3-16-27-20-10-8-18(9-11-20)6-7-19-12-14-24-15-13-19/h1-2,4-5,8-15H,3,6-7,16-17H2,(H,25,26)


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