methyl 2-[4-[(4-bromanyl-2-butyl-5-methanoyl-imidazol-1-yl)methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[(4-bromanyl-2-butyl-5-methanoyl-imidazol-1-yl)methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[(4-bromo-2-butyl-5-formyl-imidazol-1-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(4-bromo-2-butyl-5-formyl-1-imidazolyl)methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(4-bromo-2-butyl-5-formylimidazol-1-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(4-bromo-2-butyl-5-formyl-imidazol-1-yl)methyl]phenyl]benzoic acid methyl ester Formula: C23H23BrN2O3 MolecularWeight: 455.34432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C=O)Br

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C=O)Br

InChI

InChI=1S/C23H23BrN2O3/c1-3-4-9-21-25-22(24)20(15-27)26(21)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)23(28)29-2/h5-8,10-13,15H,3-4,9,14H2,1-2H3