tert-butyl 2-[3-bromanyl-5-[[3-ethyl-5-(phenylmethoxymethyl)-1H-pyrazol-4-yl]methyl]-1-benzofuran-2-yl]benzoate

Systemtic Name: tert-butyl 2-[3-bromanyl-5-[[3-ethyl-5-(phenylmethoxymethyl)-1H-pyrazol-4-yl]methyl]-1-benzofuran-2-yl]benzoate Openeye Name: tert-butyl 2-[5-[[5-(benzyloxymethyl)-3-ethyl-1H-pyrazol-4-yl]methyl]-3-bromo-benzofuran-2-yl]benzoate CAS Name: 2-[3-bromo-5-[[3-ethyl-5-(phenylmethoxymethyl)-1H-pyrazol-4-yl]methyl]-2-benzofuranyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-bromo-5-[[3-ethyl-5-(phenylmethoxymethyl)-1H-pyrazol-4-yl]methyl]-1-benzofuran-2-yl]benzoate Traditional Name: 2-[5-[[5-(benzoxymethyl)-3-ethyl-1H-pyrazol-4-yl]methyl]-3-bromo-benzofuran-2-yl]benzoic acid tert-butyl ester Formula: C33H33BrN2O4 MolecularWeight: 601.53012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=C1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)OC(C)(C)C)COCC5=CC=CC=C5

Isomeric SMILES

CCC1=NNC(=C1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)OC(C)(C)C)COCC5=CC=CC=C5

InChI

InChI=1S/C33H33BrN2O4/c1-5-27-25(28(36-35-27)20-38-19-21-11-7-6-8-12-21)17-22-15-16-29-26(18-22)30(34)31(39-29)23-13-9-10-14-24(23)32(37)40-33(2,3)4/h6-16,18H,5,17,19-20H2,1-4H3,(H,35,36)