4-[[2-[1,8-bis(oxidanylidene)-2,3,4,5,6,7,9,10-octahydroacridin-9-yl]-4-bromanyl-phenoxy]methyl]benzoate

Systemtic Name: 4-[[2-[1,8-bis(oxidanylidene)-2,3,4,5,6,7,9,10-octahydroacridin-9-yl]-4-bromanyl-phenoxy]methyl]benzoate Openeye Name: 4-[[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]methyl]benzoate CAS Name: 4-[[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]methyl]benzoate IUPAC Name: 4-[[4-bromo-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]methyl]benzoate Traditional Name: 4-[[4-bromo-2-(1,8-diketo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]methyl]benzoate Formula: C27H23BrNO5- MolecularWeight: 521.37922

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C3=C(N2)CCCC3=O)C4=C(C=CC(=C4)Br)OCC5=CC=C(C=C5)C(=O)[O-])C(=O)C1

Isomeric SMILES

C1CC2=C(C(C3=C(N2)CCCC3=O)C4=C(C=CC(=C4)Br)OCC5=CC=C(C=C5)C(=O)[O-])C(=O)C1

InChI

InChI=1S/C27H24BrNO5/c28-17-11-12-23(34-14-15-7-9-16(10-8-15)27(32)33)18(13-17)24-25-19(3-1-5-21(25)30)29-20-4-2-6-22(31)26(20)24/h7-13,24,29H,1-6,14H2,(H,32,33)/p-1