tert-butyl 2-[3-bromanyl-5-[[1,3-diethyl-5-(hydroxymethyl)pyrazol-4-yl]methyl]-1-benzofuran-2-yl]benzoate

Systemtic Name: tert-butyl 2-[3-bromanyl-5-[[1,3-diethyl-5-(hydroxymethyl)pyrazol-4-yl]methyl]-1-benzofuran-2-yl]benzoate Openeye Name: tert-butyl 2-[3-bromo-5-[[1,3-diethyl-5-(hydroxymethyl)pyrazol-4-yl]methyl]benzofuran-2-yl]benzoate CAS Name: 2-[3-bromo-5-[[1,3-diethyl-5-(hydroxymethyl)-4-pyrazolyl]methyl]-2-benzofuranyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-bromo-5-[[1,3-diethyl-5-(hydroxymethyl)pyrazol-4-yl]methyl]-1-benzofuran-2-yl]benzoate Traditional Name: 2-[3-bromo-5-[(1,3-diethyl-5-methylol-pyrazol-4-yl)methyl]benzofuran-2-yl]benzoic acid tert-butyl ester Formula: C28H31BrN2O4 MolecularWeight: 539.46074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)OC(C)(C)C)CO)CC

Isomeric SMILES

CCC1=NN(C(=C1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)OC(C)(C)C)CO)CC

InChI

InChI=1S/C28H31BrN2O4/c1-6-22-20(23(16-32)31(7-2)30-22)14-17-12-13-24-21(15-17)25(29)26(34-24)18-10-8-9-11-19(18)27(33)35-28(3,4)5/h8-13,15,32H,6-7,14,16H2,1-5H3