3-[2-[2-(4-methyl-2-propan-2-yl-phenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid

Systemtic Name: 3-[2-[2-(4-methyl-2-propan-2-yl-phenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid Openeye Name: 3-[2-[2-(2-isopropyl-4-methyl-phenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid CAS Name: 3-[2-[2-(4-methyl-2-propan-2-ylphenoxy)ethylthio]-1-benzimidazolyl]propanoic acid IUPAC Name: 3-[2-[2-(4-methyl-2-propan-2-ylphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid Traditional Name: 3-[2-[2-(2-isopropyl-4-methyl-phenoxy)ethylthio]benzimidazol-1-yl]propionic acid Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CCC(=O)O)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CCC(=O)O)C(C)C

InChI

InChI=1S/C22H26N2O3S/c1-15(2)17-14-16(3)8-9-20(17)27-12-13-28-22-23-18-6-4-5-7-19(18)24(22)11-10-21(25)26/h4-9,14-15H,10-13H2,1-3H3,(H,25,26)