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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(5-bromo-1,3-dioxo-isoindolin-2-yl)-3-methyl-butanoate CAS Name: 2-(5-bromo-1,3-dioxo-2-isoindolyl)-3-methylbutanoic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-(5-bromo-1,3-dioxoisoindol-2-yl)-3-methylbutanoate Traditional Name: 2-(5-bromo-1,3-diketo-isoindolin-2-yl)-3-methyl-butyric acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C23H30BrNO4 MolecularWeight: 464.3926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(C(C)C)N2C(=O)C3=C(C2=O)C=C(C=C3)Br)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C(C(C)C)N2C(=O)C3=C(C2=O)C=C(C=C3)Br)C(C)C

InChI

InChI=1S/C23H30BrNO4/c1-12(2)16-8-6-14(5)10-19(16)29-23(28)20(13(3)4)25-21(26)17-9-7-15(24)11-18(17)22(25)27/h7,9,11-14,16,19-20H,6,8,10H2,1-5H3