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

Systemtic Name: methyl 2-[4-[[4-(azidomethyl)-2-butyl-3-chloranyl-2H-imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[4-(azidomethyl)-2-butyl-3-chloro-2H-imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[4-(azidomethyl)-2-butyl-3-chloro-2H-imidazol-1-yl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[4-(azidomethyl)-2-butyl-3-chloro-2H-imidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[4-(azidomethyl)-2-butyl-3-chloro-4-imidazolin-1-yl]methyl]phenyl]benzoic acid methyl ester Formula: C23H26ClN5O2 MolecularWeight: 439.93784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C=C(N1Cl)CN=[N+]=[N-])CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCCC1N(C=C(N1Cl)CN=[N+]=[N-])CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C23H26ClN5O2/c1-3-4-9-22-28(16-19(29(22)24)14-26-27-25)15-17-10-12-18(13-11-17)20-7-5-6-8-21(20)23(30)31-2/h5-8,10-13,16,22H,3-4,9,14-15H2,1-2H3