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

Systemtic Name: 1-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]piperidin-3-yl]cyclobutane-1-carboxylic acid Openeye Name: 1-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridyl]-3-piperidyl]cyclobutanecarboxylic acid CAS Name: 1-[1-[5-[(cyclohexylamino)-oxomethyl]-6-(propylthio)-2-pyridinyl]-3-piperidinyl]-1-cyclobutanecarboxylic acid IUPAC Name: 1-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]piperidin-3-yl]cyclobutane-1-carboxylic acid Traditional Name: 1-[1-[5-(cyclohexylcarbamoyl)-6-(propylthio)-2-pyridyl]-3-piperidyl]cyclobutanecarboxylic acid Formula: C25H37N3O3S MolecularWeight: 459.64458

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=N1)N2CCCC(C2)C3(CCC3)C(=O)O)C(=O)NC4CCCCC4

Isomeric SMILES

CCCSC1=C(C=CC(=N1)N2CCCC(C2)C3(CCC3)C(=O)O)C(=O)NC4CCCCC4

InChI

InChI=1S/C25H37N3O3S/c1-2-16-32-23-20(22(29)26-19-9-4-3-5-10-19)11-12-21(27-23)28-15-6-8-18(17-28)25(24(30)31)13-7-14-25/h11-12,18-19H,2-10,13-17H2,1H3,(H,26,29)(H,30,31)