2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]piperidin-3-yl]oxypropanoic acid

Systemtic Name: 2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]piperidin-3-yl]oxypropanoic acid Openeye Name: 2-[[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridyl]-3-piperidyl]oxy]propanoic acid CAS Name: 2-[[1-[5-[(cyclohexylamino)-oxomethyl]-6-(propylthio)-2-pyridinyl]-3-piperidinyl]oxy]propanoic acid IUPAC Name: 2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]piperidin-3-yl]oxypropanoic acid Traditional Name: 2-[[1-[5-(cyclohexylcarbamoyl)-6-(propylthio)-2-pyridyl]-3-piperidyl]oxy]propionic acid Formula: C23H35N3O4S MolecularWeight: 449.6067

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=N1)N2CCCC(C2)OC(C)C(=O)O)C(=O)NC3CCCCC3

Isomeric SMILES

CCCSC1=C(C=CC(=N1)N2CCCC(C2)OC(C)C(=O)O)C(=O)NC3CCCCC3

InChI

InChI=1S/C23H35N3O4S/c1-3-14-31-22-19(21(27)24-17-8-5-4-6-9-17)11-12-20(25-22)26-13-7-10-18(15-26)30-16(2)23(28)29/h11-12,16-18H,3-10,13-15H2,1-2H3,(H,24,27)(H,28,29)