4-[[2-bromanyl-4-[3,3,6,6-tetramethyl-1,8-bis(oxidanylidene)-2,4,5,7,9,10-hexahydroacridin-9-yl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-bromanyl-4-[3,3,6,6-tetramethyl-1,8-bis(oxidanylidene)-2,4,5,7,9,10-hexahydroacridin-9-yl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-bromo-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]methyl]benzoic acid CAS Name: 4-[[2-bromo-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-bromo-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-bromo-4-(1,8-diketo-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]methyl]benzoic acid Formula: C31H32BrNO5 MolecularWeight: 578.49348

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OCC5=CC=C(C=C5)C(=O)O)Br)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OCC5=CC=C(C=C5)C(=O)O)Br)C(=O)C1)C

InChI

InChI=1S/C31H32BrNO5/c1-30(2)12-21-27(23(34)14-30)26(28-22(33-21)13-31(3,4)15-24(28)35)19-9-10-25(20(32)11-19)38-16-17-5-7-18(8-6-17)29(36)37/h5-11,26,33H,12-16H2,1-4H3,(H,36,37)