tert-butyl 2-[3-bromanyl-5-[(2-ethyl-5-methanoyl-4-methyl-imidazol-1-yl)methyl]-1-benzofuran-2-yl]benzoate

Systemtic Name: tert-butyl 2-[3-bromanyl-5-[(2-ethyl-5-methanoyl-4-methyl-imidazol-1-yl)methyl]-1-benzofuran-2-yl]benzoate Openeye Name: tert-butyl 2-[3-bromo-5-[(2-ethyl-5-formyl-4-methyl-imidazol-1-yl)methyl]benzofuran-2-yl]benzoate CAS Name: 2-[3-bromo-5-[(2-ethyl-5-formyl-4-methyl-1-imidazolyl)methyl]-2-benzofuranyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-bromo-5-[(2-ethyl-5-formyl-4-methylimidazol-1-yl)methyl]-1-benzofuran-2-yl]benzoate Traditional Name: 2-[3-bromo-5-[(2-ethyl-5-formyl-4-methyl-imidazol-1-yl)methyl]benzofuran-2-yl]benzoic acid tert-butyl ester Formula: C27H27BrN2O4 MolecularWeight: 523.41828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)OC(C)(C)C)C=O)C

Isomeric SMILES

CCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)OC(C)(C)C)C=O)C

InChI

InChI=1S/C27H27BrN2O4/c1-6-23-29-16(2)21(15-31)30(23)14-17-11-12-22-20(13-17)24(28)25(33-22)18-9-7-8-10-19(18)26(32)34-27(3,4)5/h7-13,15H,6,14H2,1-5H3