2-[2-oxidanyl-4-(N'-propan-2-ylcarbamimidoyl)phenyl]-N'-propan-2-yl-1-benzofuran-5-carboximidamide

Systemtic Name: 2-[2-oxidanyl-4-(N'-propan-2-ylcarbamimidoyl)phenyl]-N'-propan-2-yl-1-benzofuran-5-carboximidamide Openeye Name: 2-[2-hydroxy-4-(N'-isopropylcarbamimidoyl)phenyl]-N'-isopropyl-benzofuran-5-carboxamidine CAS Name: 2-[4-[amino(propan-2-ylimino)methyl]-2-hydroxyphenyl]-N'-propan-2-yl-5-benzofurancarboximidamide IUPAC Name: 2-[2-hydroxy-4-(N'-propan-2-ylcarbamimidoyl)phenyl]-N'-propan-2-yl-1-benzofuran-5-carboximidamide Traditional Name: 2-[2-hydroxy-4-(N'-isopropylamidino)phenyl]-N'-isopropyl-benzofuran-5-carboxamidine Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(C1=CC2=C(C=C1)OC(=C2)C3=C(C=C(C=C3)C(=NC(C)C)N)O)N

Isomeric SMILES

CC(C)N=C(C1=CC2=C(C=C1)OC(=C2)C3=C(C=C(C=C3)C(=NC(C)C)N)O)N

InChI

InChI=1S/C22H26N4O2/c1-12(2)25-21(23)14-6-8-19-16(9-14)11-20(28-19)17-7-5-15(10-18(17)27)22(24)26-13(3)4/h5-13,27H,1-4H3,(H2,23,25)(H2,24,26)