2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-2H-imidazol-1-yl]methyl]heptanoic acid

Systemtic Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-2H-imidazol-1-yl]methyl]heptanoic acid Openeye Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-2H-imidazol-1-yl]methyl]heptanoic acid CAS Name: 2-[[3-[(2-chlorophenyl)methyl]-2-(propylthio)-2H-imidazol-1-yl]methyl]heptanoic acid IUPAC Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-2H-imidazol-1-yl]methyl]heptanoic acid Traditional Name: 2-[[3-(2-chlorobenzyl)-2-(propylthio)-4-imidazolin-1-yl]methyl]enanthic acid Formula: C21H31ClN2O2S MolecularWeight: 411.00104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CN1C=CN(C1SCCC)CC2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

CCCCCC(CN1C=CN(C1SCCC)CC2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C21H31ClN2O2S/c1-3-5-6-10-18(20(25)26)16-24-13-12-23(21(24)27-14-4-2)15-17-9-7-8-11-19(17)22/h7-9,11-13,18,21H,3-6,10,14-16H2,1-2H3,(H,25,26)