3-[5-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-benzothiophen-3-yl]propanoic acid

Systemtic Name: 3-[5-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-benzothiophen-3-yl]propanoic acid Openeye Name: 3-[5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]benzothiophen-3-yl]propanoic acid CAS Name: 3-[5-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]-1-benzothiophen-3-yl]propanoic acid IUPAC Name: 3-[5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-benzothiophen-3-yl]propanoic acid Traditional Name: 3-[5-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]benzothiophen-3-yl]propionic acid Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)SC=C3CCC(=O)O)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)SC=C3CCC(=O)O)CO)Cl

InChI

InChI=1S/C20H23ClN2O3S/c1-2-3-4-18-22-20(21)16(11-24)23(18)10-13-5-7-17-15(9-13)14(12-27-17)6-8-19(25)26/h5,7,9,12,24H,2-4,6,8,10-11H2,1H3,(H,25,26)