2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-2H-imidazol-1-yl]methyl]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-2H-imidazol-1-yl]methyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-2H-imidazol-1-yl]propanoic acid CAS Name: 2-[[3-[(2-chlorophenyl)methyl]-2-(propylthio)-2H-imidazol-1-yl]methyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-2H-imidazol-1-yl]propanoic acid Traditional Name: 2-benzyl-3-[3-(2-chlorobenzyl)-2-(propylthio)-4-imidazolin-1-yl]propionic acid Formula: C23H27ClN2O2S MolecularWeight: 430.99068

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1N(C=CN1CC(CC2=CC=CC=C2)C(=O)O)CC3=CC=CC=C3Cl

Isomeric SMILES

CCCSC1N(C=CN1CC(CC2=CC=CC=C2)C(=O)O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C23H27ClN2O2S/c1-2-14-29-23-25(16-19-10-6-7-11-21(19)24)12-13-26(23)17-20(22(27)28)15-18-8-4-3-5-9-18/h3-13,20,23H,2,14-17H2,1H3,(H,27,28)