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

Systemtic Name: methyl 2-[2-[5-(azidomethyl)-2-butyl-4-chloranyl-imidazol-4-yl]-2-phenyl-ethanoyl]benzoate Openeye Name: methyl 2-[2-[5-(azidomethyl)-2-butyl-4-chloro-imidazol-4-yl]-2-phenyl-acetyl]benzoate CAS Name: 2-[2-[5-(azidomethyl)-2-butyl-4-chloro-4-imidazolyl]-1-oxo-2-phenylethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[5-(azidomethyl)-2-butyl-4-chloroimidazol-4-yl]-2-phenylacetyl]benzoate Traditional Name: 2-[2-[5-(azidomethyl)-2-butyl-4-chloro-imidazol-4-yl]-2-phenyl-acetyl]benzoic acid methyl ester Formula: C24H24ClN5O3 MolecularWeight: 465.93206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(C(=N1)CN=[N+]=[N-])(C(C2=CC=CC=C2)C(=O)C3=CC=CC=C3C(=O)OC)Cl

Isomeric SMILES

CCCCC1=NC(C(=N1)CN=[N+]=[N-])(C(C2=CC=CC=C2)C(=O)C3=CC=CC=C3C(=O)OC)Cl

InChI

InChI=1S/C24H24ClN5O3/c1-3-4-14-20-28-19(15-27-30-26)24(25,29-20)21(16-10-6-5-7-11-16)22(31)17-12-8-9-13-18(17)23(32)33-2/h5-13,21H,3-4,14-15H2,1-2H3