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

Systemtic Name: (phenylmethyl) 2-bromanyl-3-[3-[(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)methyl]-1-benzofuran-2-yl]benzoate Openeye Name: benzyl 2-bromo-3-[3-[(2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl]benzofuran-2-yl]benzoate CAS Name: 2-bromo-3-[3-[(2-butyl-4-chloro-5-formyl-1-imidazolyl)methyl]-2-benzofuranyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-bromo-3-[3-[(2-butyl-4-chloro-5-formylimidazol-1-yl)methyl]-1-benzofuran-2-yl]benzoate Traditional Name: 2-bromo-3-[3-[(2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl]benzofuran-2-yl]benzoic acid benzyl ester Formula: C31H26BrClN2O4 MolecularWeight: 605.90614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=C(OC3=CC=CC=C32)C4=C(C(=CC=C4)C(=O)OCC5=CC=CC=C5)Br)C=O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=C(OC3=CC=CC=C32)C4=C(C(=CC=C4)C(=O)OCC5=CC=CC=C5)Br)C=O)Cl

InChI

InChI=1S/C31H26BrClN2O4/c1-2-3-16-27-34-30(33)25(18-36)35(27)17-24-21-12-7-8-15-26(21)39-29(24)22-13-9-14-23(28(22)32)31(37)38-19-20-10-5-4-6-11-20/h4-15,18H,2-3,16-17,19H2,1H3