methyl 2-[3-bromanyl-5-[(2-butylimidazol-1-yl)methyl]-1-benzofuran-2-yl]benzoate

Systemtic Name: methyl 2-[3-bromanyl-5-[(2-butylimidazol-1-yl)methyl]-1-benzofuran-2-yl]benzoate Openeye Name: methyl 2-[3-bromo-5-[(2-butylimidazol-1-yl)methyl]benzofuran-2-yl]benzoate CAS Name: 2-[3-bromo-5-[(2-butyl-1-imidazolyl)methyl]-2-benzofuranyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-bromo-5-[(2-butylimidazol-1-yl)methyl]-1-benzofuran-2-yl]benzoate Traditional Name: 2-[3-bromo-5-[(2-butylimidazol-1-yl)methyl]benzofuran-2-yl]benzoic acid methyl ester Formula: C24H23BrN2O3 MolecularWeight: 467.35502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=CN1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCCCC1=NC=CN1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C24H23BrN2O3/c1-3-4-9-21-26-12-13-27(21)15-16-10-11-20-19(14-16)22(25)23(30-20)17-7-5-6-8-18(17)24(28)29-2/h5-8,10-14H,3-4,9,15H2,1-2H3