(E)-3-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]-1-(4-methoxy-2-oxidanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]-1-(4-methoxy-2-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-3-[4-(4-bromophenyl)-4-hydroxy-1-piperidyl]-1-(2-hydroxy-4-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-3-[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]-1-(2-hydroxy-4-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-3-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-[4-(4-bromophenyl)-4-hydroxy-piperidino]-1-(2-hydroxy-4-methoxy-phenyl)prop-2-en-1-one Formula: C21H22BrNO4 MolecularWeight: 432.30768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C=CN2CCC(CC2)(C3=CC=C(C=C3)Br)O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)/C=C/N2CCC(CC2)(C3=CC=C(C=C3)Br)O)O

InChI

InChI=1S/C21H22BrNO4/c1-27-17-6-7-18(20(25)14-17)19(24)8-11-23-12-9-21(26,10-13-23)15-2-4-16(22)5-3-15/h2-8,11,14,25-26H,9-10,12-13H2,1H3/b11-8+