ethyl (5E)-5-[(4-bromophenyl)methylidene]-1-(1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl)-2,4-bis(oxidanylidene)piperidine-3-carboxylate

Systemtic Name: ethyl (5E)-5-[(4-bromophenyl)methylidene]-1-(1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl)-2,4-bis(oxidanylidene)piperidine-3-carboxylate Openeye Name: ethyl (5E)-5-[(4-bromophenyl)methylene]-1-(1-methoxycarbonyl-2-methyl-butyl)-2,4-dioxo-piperidine-3-carboxylate CAS Name: (5E)-5-[(4-bromophenyl)methylidene]-1-(1-methoxy-3-methyl-1-oxopentan-2-yl)-2,4-dioxo-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (5E)-5-[(4-bromophenyl)methylidene]-1-(1-methoxy-3-methyl-1-oxopentan-2-yl)-2,4-dioxopiperidine-3-carboxylate Traditional Name: (5E)-5-(4-bromobenzylidene)-1-(1-carbomethoxy-2-methyl-butyl)-2,4-diketo-nipecotic acid ethyl ester Formula: C22H26BrNO6 MolecularWeight: 480.34894

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)N1CC(=CC2=CC=C(C=C2)Br)C(=O)C(C1=O)C(=O)OCC

Isomeric SMILES

CCC(C)C(C(=O)OC)N1C/C(=C\C2=CC=C(C=C2)Br)/C(=O)C(C1=O)C(=O)OCC

InChI

InChI=1S/C22H26BrNO6/c1-5-13(3)18(22(28)29-4)24-12-15(11-14-7-9-16(23)10-8-14)19(25)17(20(24)26)21(27)30-6-2/h7-11,13,17-18H,5-6,12H2,1-4H3/b15-11+