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

Systemtic Name: methyl 5-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-2-phenyl-benzoate Openeye Name: methyl 5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-2-phenyl-benzoate CAS Name: 5-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]-2-phenylbenzoic acid methyl ester IUPAC Name: methyl 5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-2-phenylbenzoate Traditional Name: 5-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]-2-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)CO)Cl

Isomeric SMILES

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

InChI

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