(5-methyl-2-propan-2-yl-cyclohexyl) 4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 4-(5-bromo-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 4-(5-bromo-1,3-dioxo-2-isoindolyl)benzoic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 4-(5-bromo-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 4-(5-bromo-1,3-diketo-isoindolin-2-yl)benzoic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C25H26BrNO4 MolecularWeight: 484.38224

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Br)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Br)C(C)C

InChI

InChI=1S/C25H26BrNO4/c1-14(2)19-10-4-15(3)12-22(19)31-25(30)16-5-8-18(9-6-16)27-23(28)20-11-7-17(26)13-21(20)24(27)29/h5-9,11,13-15,19,22H,4,10,12H2,1-3H3