3-(4-bromanyl-2-methyl-phenoxy)-1-[4-[2-(4-oxidanylphenoxy)ethanoyl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-bromanyl-2-methyl-phenoxy)-1-[4-[2-(4-oxidanylphenoxy)ethanoyl]piperazin-1-yl]propan-1-one Openeye Name: 3-(4-bromo-2-methyl-phenoxy)-1-[4-[2-(4-hydroxyphenoxy)acetyl]piperazin-1-yl]propan-1-one CAS Name: 3-(4-bromo-2-methylphenoxy)-1-[4-[2-(4-hydroxyphenoxy)-1-oxoethyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-bromo-2-methylphenoxy)-1-[4-[2-(4-hydroxyphenoxy)acetyl]piperazin-1-yl]propan-1-one Traditional Name: 3-(4-bromo-2-methyl-phenoxy)-1-[4-[2-(4-hydroxyphenoxy)acetyl]piperazino]propan-1-one Formula: C22H25BrN2O5 MolecularWeight: 477.3483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCCC(=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCCC(=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)O

InChI

InChI=1S/C22H25BrN2O5/c1-16-14-17(23)2-7-20(16)29-13-8-21(27)24-9-11-25(12-10-24)22(28)15-30-19-5-3-18(26)4-6-19/h2-7,14,26H,8-13,15H2,1H3