2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]methyl]heptanoic acid

Systemtic Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]methyl]heptanoic acid Openeye Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]methyl]heptanoic acid CAS Name: 2-[[3-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]methyl]heptanoic acid IUPAC Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]methyl]heptanoic acid Traditional Name: 2-[[3-(2-chlorobenzyl)-2-(propylthio)imidazol-4-yl]methyl]enanthic acid Formula: C21H29ClN2O2S MolecularWeight: 408.98516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC1=CN=C(N1CC2=CC=CC=C2Cl)SCCC)C(=O)O

Isomeric SMILES

CCCCCC(CC1=CN=C(N1CC2=CC=CC=C2Cl)SCCC)C(=O)O

InChI

InChI=1S/C21H29ClN2O2S/c1-3-5-6-9-16(20(25)26)13-18-14-23-21(27-12-4-2)24(18)15-17-10-7-8-11-19(17)22/h7-8,10-11,14,16H,3-6,9,12-13,15H2,1-2H3,(H,25,26)