1-benzofuran-2-yl 3-imidazol-1-yl-4-methanoyl-2-methyl-benzoate

Systemtic Name: 1-benzofuran-2-yl 3-imidazol-1-yl-4-methanoyl-2-methyl-benzoate Openeye Name: benzofuran-2-yl 4-formyl-3-imidazol-1-yl-2-methyl-benzoate CAS Name: 4-formyl-3-(1-imidazolyl)-2-methylbenzoic acid 2-benzofuranyl ester IUPAC Name: 1-benzofuran-2-yl 4-formyl-3-imidazol-1-yl-2-methylbenzoate Traditional Name: 4-formyl-3-imidazol-1-yl-2-methyl-benzoic acid benzofuran-2-yl ester Formula: C20H14N2O4 MolecularWeight: 346.33616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1N2C=CN=C2)C=O)C(=O)OC3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC(=C1N2C=CN=C2)C=O)C(=O)OC3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H14N2O4/c1-13-16(7-6-15(11-23)19(13)22-9-8-21-12-22)20(24)26-18-10-14-4-2-3-5-17(14)25-18/h2-12H,1H3