tert-butyl (E)-5-(3-bromophenyl)-3-methyl-pent-2-enoate

Systemtic Name: tert-butyl (E)-5-(3-bromophenyl)-3-methyl-pent-2-enoate Openeye Name: tert-butyl (E)-5-(3-bromophenyl)-3-methyl-pent-2-enoate CAS Name: (E)-5-(3-bromophenyl)-3-methyl-2-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-5-(3-bromophenyl)-3-methylpent-2-enoate Traditional Name: (E)-5-(3-bromophenyl)-3-methyl-pent-2-enoic acid tert-butyl ester Formula: C16H21BrO2 MolecularWeight: 325.24074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC(C)(C)C)CCC1=CC(=CC=C1)Br

Isomeric SMILES

C/C(=C\C(=O)OC(C)(C)C)/CCC1=CC(=CC=C1)Br

InChI

InChI=1S/C16H21BrO2/c1-12(10-15(18)19-16(2,3)4)8-9-13-6-5-7-14(17)11-13/h5-7,10-11H,8-9H2,1-4H3/b12-10+