2-[[4-[[5-(hydroxymethyl)-2-propylsulfanyl-imidazol-1-yl]methyl]phenyl]amino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[[4-[[5-(hydroxymethyl)-2-propylsulfanyl-imidazol-1-yl]methyl]phenyl]amino]-2-phenyl-ethanoic acid Openeye Name: 2-[4-[[5-(hydroxymethyl)-2-propylsulfanyl-imidazol-1-yl]methyl]anilino]-2-phenyl-acetic acid CAS Name: 2-[4-[[5-(hydroxymethyl)-2-(propylthio)-1-imidazolyl]methyl]anilino]-2-phenylacetic acid IUPAC Name: 2-[4-[[5-(hydroxymethyl)-2-propylsulfanylimidazol-1-yl]methyl]anilino]-2-phenylacetic acid Traditional Name: 2-[4-[[5-methylol-2-(propylthio)imidazol-1-yl]methyl]anilino]-2-phenyl-acetic acid Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(N1CC2=CC=C(C=C2)NC(C3=CC=CC=C3)C(=O)O)CO

Isomeric SMILES

CCCSC1=NC=C(N1CC2=CC=C(C=C2)NC(C3=CC=CC=C3)C(=O)O)CO

InChI

InChI=1S/C22H25N3O3S/c1-2-12-29-22-23-13-19(15-26)25(22)14-16-8-10-18(11-9-16)24-20(21(27)28)17-6-4-3-5-7-17/h3-11,13,20,24,26H,2,12,14-15H2,1H3,(H,27,28)