methyl 3-[4-[[2-butyl-5-chloranyl-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: methyl 3-[4-[[2-butyl-5-chloranyl-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: methyl 3-[4-[[2-butyl-5-chloro-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 3-[4-[[2-butyl-5-chloro-4-(hydroxymethyl)-1-imidazolyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[[2-butyl-5-chloro-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 3-[4-[(2-butyl-5-chloro-4-methylol-imidazol-1-yl)methyl]phenyl]benzoic acid methyl ester Formula: C23H25ClN2O3 MolecularWeight: 412.9092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC(=CC=C3)C(=O)OC)Cl)CO

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC(=CC=C3)C(=O)OC)Cl)CO

InChI

InChI=1S/C23H25ClN2O3/c1-3-4-8-21-25-20(15-27)22(24)26(21)14-16-9-11-17(12-10-16)18-6-5-7-19(13-18)23(28)29-2/h5-7,9-13,27H,3-4,8,14-15H2,1-2H3