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

Systemtic Name: methyl 2-[4-[[4-(azidomethyl)-2-butyl-3-chloranyl-2H-imidazol-1-yl]methyl]phenyl]carbonylbenzoate Openeye Name: methyl 2-[4-[[4-(azidomethyl)-2-butyl-3-chloro-2H-imidazol-1-yl]methyl]benzoyl]benzoate CAS Name: 2-[[4-[[4-(azidomethyl)-2-butyl-3-chloro-2H-imidazol-1-yl]methyl]phenyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[4-(azidomethyl)-2-butyl-3-chloro-2H-imidazol-1-yl]methyl]benzoyl]benzoate Traditional Name: 2-[4-[[4-(azidomethyl)-2-butyl-3-chloro-4-imidazolin-1-yl]methyl]benzoyl]benzoic acid methyl ester Formula: C24H26ClN5O3 MolecularWeight: 467.94794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN5O3/c1-3-4-9-22-29(16-19(30(22)25)14-27-28-26)15-17-10-12-18(13-11-17)23(31)20-7-5-6-8-21(20)24(32)33-2/h5-8,10-13,16,22H,3-4,9,14-15H2,1-2H3