1-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]piperidin-4-yl]cyclobutane-1-carboxylic acid

Systemtic Name: 1-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]piperidin-4-yl]cyclobutane-1-carboxylic acid Openeye Name: 1-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridyl]-4-piperidyl]cyclobutanecarboxylic acid CAS Name: 1-[1-[5-[(cyclohexylamino)-oxomethyl]-6-(propylthio)-2-pyridinyl]-4-piperidinyl]-1-cyclobutanecarboxylic acid IUPAC Name: 1-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]piperidin-4-yl]cyclobutane-1-carboxylic acid Traditional Name: 1-[1-[5-(cyclohexylcarbamoyl)-6-(propylthio)-2-pyridyl]-4-piperidyl]cyclobutanecarboxylic acid Formula: C25H37N3O3S MolecularWeight: 459.64458

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=N1)N2CCC(CC2)C3(CCC3)C(=O)O)C(=O)NC4CCCCC4

Isomeric SMILES

CCCSC1=C(C=CC(=N1)N2CCC(CC2)C3(CCC3)C(=O)O)C(=O)NC4CCCCC4

InChI

InChI=1S/C25H37N3O3S/c1-2-17-32-23-20(22(29)26-19-7-4-3-5-8-19)9-10-21(27-23)28-15-11-18(12-16-28)25(24(30)31)13-6-14-25/h9-10,18-19H,2-8,11-17H2,1H3,(H,26,29)(H,30,31)