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

Systemtic Name: 2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]oxycarbonylheptanoic acid Openeye Name: 2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]oxycarbonylheptanoic acid CAS Name: 2-[[3-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]oxy-oxomethyl]heptanoic acid IUPAC Name: 2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]oxycarbonylheptanoic acid Traditional Name: 2-[3-(2-chlorobenzyl)-2-(propylthio)imidazol-4-yl]oxycarbonylenanthic acid Formula: C21H27ClN2O4S MolecularWeight: 438.96808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)O)C(=O)OC1=CN=C(N1CC2=CC=CC=C2Cl)SCCC

Isomeric SMILES

CCCCCC(C(=O)O)C(=O)OC1=CN=C(N1CC2=CC=CC=C2Cl)SCCC

InChI

InChI=1S/C21H27ClN2O4S/c1-3-5-6-10-16(19(25)26)20(27)28-18-13-23-21(29-12-4-2)24(18)14-15-9-7-8-11-17(15)22/h7-9,11,13,16H,3-6,10,12,14H2,1-2H3,(H,25,26)