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

Systemtic Name: 2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]-3-phenyl-propanoic acid Openeye Name: 2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]-3-phenyl-propanoic acid CAS Name: 2-[3-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]-3-phenylpropanoic acid IUPAC Name: 2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]-3-phenylpropanoic acid Traditional Name: 2-[3-(2-chlorobenzyl)-2-(propylthio)imidazol-4-yl]-3-phenyl-propionic acid Formula: C22H23ClN2O2S MolecularWeight: 414.94822

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)C(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)C(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H23ClN2O2S/c1-2-12-28-22-24-14-20(25(22)15-17-10-6-7-11-19(17)23)18(21(26)27)13-16-8-4-3-5-9-16/h3-11,14,18H,2,12-13,15H2,1H3,(H,26,27)