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

Systemtic Name: tert-butyl 2-[5-[(5-aminocarbonyl-1,3-diethyl-pyrazol-4-yl)methyl]-3-bromanyl-1-benzofuran-2-yl]benzoate Openeye Name: tert-butyl 2-[3-bromo-5-[(5-carbamoyl-1,3-diethyl-pyrazol-4-yl)methyl]benzofuran-2-yl]benzoate CAS Name: 2-[3-bromo-5-[(5-carbamoyl-1,3-diethyl-4-pyrazolyl)methyl]-2-benzofuranyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-bromo-5-[(5-carbamoyl-1,3-diethylpyrazol-4-yl)methyl]-1-benzofuran-2-yl]benzoate Traditional Name: 2-[3-bromo-5-[(5-carbamoyl-1,3-diethyl-pyrazol-4-yl)methyl]benzofuran-2-yl]benzoic acid tert-butyl ester Formula: C28H30BrN3O4 MolecularWeight: 552.4595

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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)C(=O)N)CC

Isomeric SMILES

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

InChI

InChI=1S/C28H30BrN3O4/c1-6-21-19(24(26(30)33)32(7-2)31-21)14-16-12-13-22-20(15-16)23(29)25(35-22)17-10-8-9-11-18(17)27(34)36-28(3,4)5/h8-13,15H,6-7,14H2,1-5H3,(H2,30,33)