2-[2-(1-benzofuran-2-ylmethylamino)-1-[(5-bromanyl-2-oxidanyl-phenyl)methyl]indol-3-yl]-2-methyl-propanamide

Systemtic Name: 2-[2-(1-benzofuran-2-ylmethylamino)-1-[(5-bromanyl-2-oxidanyl-phenyl)methyl]indol-3-yl]-2-methyl-propanamide Openeye Name: 2-[2-(benzofuran-2-ylmethylamino)-1-[(5-bromo-2-hydroxy-phenyl)methyl]indol-3-yl]-2-methyl-propanamide CAS Name: 2-[2-(2-benzofuranylmethylamino)-1-[(5-bromo-2-hydroxyphenyl)methyl]-3-indolyl]-2-methylpropanamide IUPAC Name: 2-[2-(1-benzofuran-2-ylmethylamino)-1-[(5-bromo-2-hydroxyphenyl)methyl]indol-3-yl]-2-methylpropanamide Traditional Name: 2-[2-(benzofuran-2-ylmethylamino)-1-(5-bromo-2-hydroxy-benzyl)indol-3-yl]-2-methyl-propionamide Formula: C28H26BrN3O3 MolecularWeight: 532.42834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=C(N(C2=CC=CC=C21)CC3=C(C=CC(=C3)Br)O)NCC4=CC5=CC=CC=C5O4)C(=O)N

Isomeric SMILES

CC(C)(C1=C(N(C2=CC=CC=C21)CC3=C(C=CC(=C3)Br)O)NCC4=CC5=CC=CC=C5O4)C(=O)N

InChI

InChI=1S/C28H26BrN3O3/c1-28(2,27(30)34)25-21-8-4-5-9-22(21)32(16-18-13-19(29)11-12-23(18)33)26(25)31-15-20-14-17-7-3-6-10-24(17)35-20/h3-14,31,33H,15-16H2,1-2H3,(H2,30,34)