ethyl 3-[[2-(2-aminophenyl)-3-ethyl-1-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylate

Systemtic Name: ethyl 3-[[2-(2-aminophenyl)-3-ethyl-1-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylate Openeye Name: ethyl 3-[[2-(2-aminophenyl)-3-ethyl-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylate CAS Name: 3-[[2-(2-aminophenyl)-3-ethyl-5-benzofuranyl]methyl]-5-cyclopropyl-2-ethyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-aminophenyl)-3-ethyl-1-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethylimidazole-4-carboxylate Traditional Name: 3-[[2-(2-aminophenyl)-3-ethyl-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylic acid ethyl ester Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC2=C1C=C(C=C2)CN3C(=NC(=C3C(=O)OCC)C4CC4)CC)C5=CC=CC=C5N

Isomeric SMILES

CCC1=C(OC2=C1C=C(C=C2)CN3C(=NC(=C3C(=O)OCC)C4CC4)CC)C5=CC=CC=C5N

InChI

InChI=1S/C28H31N3O3/c1-4-19-21-15-17(11-14-23(21)34-27(19)20-9-7-8-10-22(20)29)16-31-24(5-2)30-25(18-12-13-18)26(31)28(32)33-6-3/h7-11,14-15,18H,4-6,12-13,16,29H2,1-3H3