(E)-2-(3-bromophenyl)-1-(2-methylpropylamino)hept-1-ene-3,5-dione

Systemtic Name: (E)-2-(3-bromophenyl)-1-(2-methylpropylamino)hept-1-ene-3,5-dione Openeye Name: (E)-2-(3-bromophenyl)-1-(isobutylamino)hept-1-ene-3,5-dione CAS Name: (E)-2-(3-bromophenyl)-1-(2-methylpropylamino)-1-heptene-3,5-dione IUPAC Name: (E)-2-(3-bromophenyl)-1-(2-methylpropylamino)hept-1-ene-3,5-dione Traditional Name: (E)-2-(3-bromophenyl)-1-(isobutylamino)hept-1-ene-3,5-dione Formula: C17H22BrNO2 MolecularWeight: 352.26608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(=O)C(=CNCC(C)C)C1=CC(=CC=C1)Br

Isomeric SMILES

CCC(=O)CC(=O)/C(=C/NCC(C)C)/C1=CC(=CC=C1)Br

InChI

InChI=1S/C17H22BrNO2/c1-4-15(20)9-17(21)16(11-19-10-12(2)3)13-6-5-7-14(18)8-13/h5-8,11-12,19H,4,9-10H2,1-3H3/b16-11+