tert-butyl (E)-6-[1-[(2-bromophenyl)methyl]-6-oxidanylidene-piperidin-2-yl]hex-2-enoate

Systemtic Name: tert-butyl (E)-6-[1-[(2-bromophenyl)methyl]-6-oxidanylidene-piperidin-2-yl]hex-2-enoate Openeye Name: tert-butyl (E)-6-[1-[(2-bromophenyl)methyl]-6-oxo-2-piperidyl]hex-2-enoate CAS Name: (E)-6-[1-[(2-bromophenyl)methyl]-6-oxo-2-piperidinyl]-2-hexenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-6-[1-[(2-bromophenyl)methyl]-6-oxopiperidin-2-yl]hex-2-enoate Traditional Name: (E)-6-[1-(2-bromobenzyl)-6-keto-2-piperidyl]hex-2-enoic acid tert-butyl ester Formula: C22H30BrNO3 MolecularWeight: 436.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=CCCCC1CCCC(=O)N1CC2=CC=CC=C2Br

Isomeric SMILES

CC(C)(C)OC(=O)/C=C/CCCC1CCCC(=O)N1CC2=CC=CC=C2Br

InChI

InChI=1S/C22H30BrNO3/c1-22(2,3)27-21(26)15-6-4-5-11-18-12-9-14-20(25)24(18)16-17-10-7-8-13-19(17)23/h6-8,10,13,15,18H,4-5,9,11-12,14,16H2,1-3H3/b15-6+