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

Systemtic Name: 1-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]piperidin-3-yl]cyclopropane-1-carboxylic acid Openeye Name: 1-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridyl]-3-piperidyl]cyclopropanecarboxylic acid CAS Name: 1-[1-[5-[(cyclohexylamino)-oxomethyl]-6-(propylthio)-2-pyridinyl]-3-piperidinyl]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]piperidin-3-yl]cyclopropane-1-carboxylic acid Traditional Name: 1-[1-[5-(cyclohexylcarbamoyl)-6-(propylthio)-2-pyridyl]-3-piperidyl]cyclopropanecarboxylic acid Formula: C24H35N3O3S MolecularWeight: 445.618

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=N1)N2CCCC(C2)C3(CC3)C(=O)O)C(=O)NC4CCCCC4

Isomeric SMILES

CCCSC1=C(C=CC(=N1)N2CCCC(C2)C3(CC3)C(=O)O)C(=O)NC4CCCCC4

InChI

InChI=1S/C24H35N3O3S/c1-2-15-31-22-19(21(28)25-18-8-4-3-5-9-18)10-11-20(26-22)27-14-6-7-17(16-27)24(12-13-24)23(29)30/h10-11,17-18H,2-9,12-16H2,1H3,(H,25,28)(H,29,30)