methyl 2-(4-bromanyl-2-butyl-5-methanoyl-imidazol-1-yl)-6-phenyl-benzoate

Systemtic Name: methyl 2-(4-bromanyl-2-butyl-5-methanoyl-imidazol-1-yl)-6-phenyl-benzoate Openeye Name: methyl 2-(4-bromo-2-butyl-5-formyl-imidazol-1-yl)-6-phenyl-benzoate CAS Name: 2-(4-bromo-2-butyl-5-formyl-1-imidazolyl)-6-phenylbenzoic acid methyl ester IUPAC Name: methyl 2-(4-bromo-2-butyl-5-formylimidazol-1-yl)-6-phenylbenzoate Traditional Name: 2-(4-bromo-2-butyl-5-formyl-imidazol-1-yl)-6-phenyl-benzoic acid methyl ester Formula: C22H21BrN2O3 MolecularWeight: 441.31774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1C2=CC=CC(=C2C(=O)OC)C3=CC=CC=C3)C=O)Br

Isomeric SMILES

CCCCC1=NC(=C(N1C2=CC=CC(=C2C(=O)OC)C3=CC=CC=C3)C=O)Br

InChI

InChI=1S/C22H21BrN2O3/c1-3-4-13-19-24-21(23)18(14-26)25(19)17-12-8-11-16(20(17)22(27)28-2)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3