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

Systemtic Name: methyl 2-[4-[[5-(azidomethyl)-2-butyl-4-chloranyl-imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[5-(azidomethyl)-2-butyl-4-chloro-imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[5-(azidomethyl)-2-butyl-4-chloro-1-imidazolyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[5-(azidomethyl)-2-butyl-4-chloroimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[5-(azidomethyl)-2-butyl-4-chloro-imidazol-1-yl]methyl]phenyl]benzoic acid methyl ester Formula: C23H24ClN5O2 MolecularWeight: 437.92196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)CN=[N+]=[N-])Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)CN=[N+]=[N-])Cl

InChI

InChI=1S/C23H24ClN5O2/c1-3-4-9-21-27-22(24)20(14-26-28-25)29(21)15-16-10-12-17(13-11-16)18-7-5-6-8-19(18)23(30)31-2/h5-8,10-13H,3-4,9,14-15H2,1-2H3