methyl 4-[2-[[2-(5-bromanyl-1-benzofuran-2-yl)-2-oxidanyl-ethyl]amino]propyl]benzoate

Systemtic Name: methyl 4-[2-[[2-(5-bromanyl-1-benzofuran-2-yl)-2-oxidanyl-ethyl]amino]propyl]benzoate Openeye Name: methyl 4-[2-[[2-(5-bromobenzofuran-2-yl)-2-hydroxy-ethyl]amino]propyl]benzoate CAS Name: 4-[2-[[2-(5-bromo-2-benzofuranyl)-2-hydroxyethyl]amino]propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[2-(5-bromo-1-benzofuran-2-yl)-2-hydroxyethyl]amino]propyl]benzoate Traditional Name: 4-[2-[[2-(5-bromobenzofuran-2-yl)-2-hydroxy-ethyl]amino]propyl]benzoic acid methyl ester Formula: C21H22BrNO4 MolecularWeight: 432.30768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=O)OC)NCC(C2=CC3=C(O2)C=CC(=C3)Br)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(=O)OC)NCC(C2=CC3=C(O2)C=CC(=C3)Br)O

InChI

InChI=1S/C21H22BrNO4/c1-13(9-14-3-5-15(6-4-14)21(25)26-2)23-12-18(24)20-11-16-10-17(22)7-8-19(16)27-20/h3-8,10-11,13,18,23-24H,9,12H2,1-2H3