2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]pyrrolidin-3-yl]oxyethanoic acid

Systemtic Name: 2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]pyrrolidin-3-yl]oxyethanoic acid Openeye Name: 2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridyl]pyrrolidin-3-yl]oxyacetic acid CAS Name: 2-[[1-[5-[(cyclohexylamino)-oxomethyl]-6-(propylthio)-2-pyridinyl]-3-pyrrolidinyl]oxy]acetic acid IUPAC Name: 2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]pyrrolidin-3-yl]oxyacetic acid Traditional Name: 2-[1-[5-(cyclohexylcarbamoyl)-6-(propylthio)-2-pyridyl]pyrrolidin-3-yl]oxyacetic acid Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=N1)N2CCC(C2)OCC(=O)O)C(=O)NC3CCCCC3

Isomeric SMILES

CCCSC1=C(C=CC(=N1)N2CCC(C2)OCC(=O)O)C(=O)NC3CCCCC3

InChI

InChI=1S/C21H31N3O4S/c1-2-12-29-21-17(20(27)22-15-6-4-3-5-7-15)8-9-18(23-21)24-11-10-16(13-24)28-14-19(25)26/h8-9,15-16H,2-7,10-14H2,1H3,(H,22,27)(H,25,26)