methyl 2-[4-[[2-butyl-4-chloranyl-5-(cyanomethyl)imidazol-1-yl]methyl]phenyl]carbonylbenzoate

Systemtic Name: methyl 2-[4-[[2-butyl-4-chloranyl-5-(cyanomethyl)imidazol-1-yl]methyl]phenyl]carbonylbenzoate Openeye Name: methyl 2-[4-[[2-butyl-4-chloro-5-(cyanomethyl)imidazol-1-yl]methyl]benzoyl]benzoate CAS Name: 2-[[4-[[2-butyl-4-chloro-5-(cyanomethyl)-1-imidazolyl]methyl]phenyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[2-butyl-4-chloro-5-(cyanomethyl)imidazol-1-yl]methyl]benzoyl]benzoate Traditional Name: 2-[4-[[2-butyl-4-chloro-5-(cyanomethyl)imidazol-1-yl]methyl]benzoyl]benzoic acid methyl ester Formula: C25H24ClN3O3 MolecularWeight: 449.92936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C(=O)C3=CC=CC=C3C(=O)OC)CC#N)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C(=O)C3=CC=CC=C3C(=O)OC)CC#N)Cl

InChI

InChI=1S/C25H24ClN3O3/c1-3-4-9-22-28-24(26)21(14-15-27)29(22)16-17-10-12-18(13-11-17)23(30)19-7-5-6-8-20(19)25(31)32-2/h5-8,10-13H,3-4,9,14,16H2,1-2H3