2-[4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]oxyphenyl]propanoic acid

Systemtic Name: 2-[4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]oxyphenyl]propanoic acid Openeye Name: 2-[4-[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridyl]oxy]phenyl]propanoic acid CAS Name: 2-[4-[[5-[(cyclohexylamino)-oxomethyl]-6-(propylthio)-2-pyridinyl]oxy]phenyl]propanoic acid IUPAC Name: 2-[4-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]oxyphenyl]propanoic acid Traditional Name: 2-[4-[[5-(cyclohexylcarbamoyl)-6-(propylthio)-2-pyridyl]oxy]phenyl]propionic acid Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=N1)OC2=CC=C(C=C2)C(C)C(=O)O)C(=O)NC3CCCCC3

Isomeric SMILES

CCCSC1=C(C=CC(=N1)OC2=CC=C(C=C2)C(C)C(=O)O)C(=O)NC3CCCCC3

InChI

InChI=1S/C24H30N2O4S/c1-3-15-31-23-20(22(27)25-18-7-5-4-6-8-18)13-14-21(26-23)30-19-11-9-17(10-12-19)16(2)24(28)29/h9-14,16,18H,3-8,15H2,1-2H3,(H,25,27)(H,28,29)