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

Systemtic Name: 3-(4-bromanyl-3-methyl-phenoxy)-1-[4-[2-(3-oxidanylphenoxy)ethanoyl]piperazin-1-yl]propan-1-one Openeye Name: 3-(4-bromo-3-methyl-phenoxy)-1-[4-[2-(3-hydroxyphenoxy)acetyl]piperazin-1-yl]propan-1-one CAS Name: 3-(4-bromo-3-methylphenoxy)-1-[4-[2-(3-hydroxyphenoxy)-1-oxoethyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-bromo-3-methylphenoxy)-1-[4-[2-(3-hydroxyphenoxy)acetyl]piperazin-1-yl]propan-1-one Traditional Name: 3-(4-bromo-3-methyl-phenoxy)-1-[4-[2-(3-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)OCCC(=O)N2CCN(CC2)C(=O)COC3=CC=CC(=C3)O)Br

Isomeric SMILES

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

InChI

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