methyl 2-[5-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]thiophen-2-yl]benzoate

Systemtic Name: methyl 2-[5-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]thiophen-2-yl]benzoate Openeye Name: methyl 2-[5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-2-thienyl]benzoate CAS Name: 2-[5-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]-2-thiophenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]thiophen-2-yl]benzoate Traditional Name: 2-[5-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]-2-thienyl]benzoic acid methyl ester Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(S2)C3=CC=CC=C3C(=O)OC)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(S2)C3=CC=CC=C3C(=O)OC)CO)Cl

InChI

InChI=1S/C21H23ClN2O3S/c1-3-4-9-19-23-20(22)17(13-25)24(19)12-14-10-11-18(28-14)15-7-5-6-8-16(15)21(26)27-2/h5-8,10-11,25H,3-4,9,12-13H2,1-2H3