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

Systemtic Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]methyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]propanoic acid CAS Name: 2-[[3-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]methyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]propanoic acid Traditional Name: 2-benzyl-3-[3-(2-chlorobenzyl)-2-(propylthio)imidazol-4-yl]propionic acid Formula: C23H25ClN2O2S MolecularWeight: 428.9748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN2O2S/c1-2-12-29-23-25-15-20(26(23)16-18-10-6-7-11-21(18)24)14-19(22(27)28)13-17-8-4-3-5-9-17/h3-11,15,19H,2,12-14,16H2,1H3,(H,27,28)