[(Z)-6-[(2R,4S)-6-[2,2-dimethyl-4,6-bis(oxidanylidene)-1,3-dioxan-5-ylidene]-4-methyl-piperidin-2-yl]hex-2-enyl] 4-bromanylbenzoate

Systemtic Name: [(Z)-6-[(2R,4S)-6-[2,2-dimethyl-4,6-bis(oxidanylidene)-1,3-dioxan-5-ylidene]-4-methyl-piperidin-2-yl]hex-2-enyl] 4-bromanylbenzoate Openeye Name: [(Z)-6-[(2R,4S)-6-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-4-methyl-2-piperidyl]hex-2-enyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(Z)-6-[(2R,4S)-6-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-4-methyl-2-piperidinyl]hex-2-enyl] ester IUPAC Name: [(Z)-6-[(2R,4S)-6-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-4-methylpiperidin-2-yl]hex-2-enyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(Z)-6-[(2R,4S)-6-(4,6-diketo-2,2-dimethyl-1,3-dioxan-5-ylidene)-4-methyl-2-piperidyl]hex-2-enyl] ester Formula: C25H30BrNO6 MolecularWeight: 520.4128

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NC(=C2C(=O)OC(OC2=O)(C)C)C1)CCCC=CCOC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C[C@H]1C[C@H](NC(=C2C(=O)OC(OC2=O)(C)C)C1)CCC/C=C\COC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C25H30BrNO6/c1-16-14-19(27-20(15-16)21-23(29)32-25(2,3)33-24(21)30)8-6-4-5-7-13-31-22(28)17-9-11-18(26)12-10-17/h5,7,9-12,16,19,27H,4,6,8,13-15H2,1-3H3/b7-5-/t16-,19+/m0/s1