(E,2S)-6-bromanyl-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-propan-2-yl-hex-4-en-1-one

Systemtic Name: (E,2S)-6-bromanyl-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-propan-2-yl-hex-4-en-1-one Openeye Name: (E,2S)-6-bromo-2-isopropyl-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]hex-4-en-1-one CAS Name: (E,2S)-6-bromo-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-propan-2-yl-4-hexen-1-one IUPAC Name: (E,2S)-6-bromo-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-propan-2-ylhex-4-en-1-one Traditional Name: (E,2S)-6-bromo-2-isopropyl-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]hex-4-en-1-one Formula: C20H29BrO4 MolecularWeight: 413.34586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC=CCBr)C(=O)C1=CC(=C(C=C1)OC)OCCCOC

Isomeric SMILES

CC(C)[C@H](C/C=C/CBr)C(=O)C1=CC(=C(C=C1)OC)OCCCOC

InChI

InChI=1S/C20H29BrO4/c1-15(2)17(8-5-6-11-21)20(22)16-9-10-18(24-4)19(14-16)25-13-7-12-23-3/h5-6,9-10,14-15,17H,7-8,11-13H2,1-4H3/b6-5+/t17-/m0/s1