2-[4-[[2-ethoxy-6-(1-propan-2-ylimidazol-4-yl)benzimidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: 2-[4-[[2-ethoxy-6-(1-propan-2-ylimidazol-4-yl)benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: 2-[4-[[2-ethoxy-6-(1-isopropylimidazol-4-yl)benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-ethoxy-6-(1-propan-2-yl-4-imidazolyl)-1-benzimidazolyl]methyl]phenyl]benzoate IUPAC Name: 2-[4-[[2-ethoxy-6-(1-propan-2-ylimidazol-4-yl)benzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-ethoxy-6-(1-isopropylimidazol-4-yl)benzimidazol-1-yl]methyl]phenyl]benzoate Formula: C29H27N4O3- MolecularWeight: 479.54968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])C=C(C=C2)C5=CN(C=N5)C(C)C

Isomeric SMILES

CCOC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)[O-])C=C(C=C2)C5=CN(C=N5)C(C)C

InChI

InChI=1S/C29H28N4O3/c1-4-36-29-31-25-14-13-22(26-17-32(18-30-26)19(2)3)15-27(25)33(29)16-20-9-11-21(12-10-20)23-7-5-6-8-24(23)28(34)35/h5-15,17-19H,4,16H2,1-3H3,(H,34,35)/p-1