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

Systemtic Name: 3-(4-bromanyl-2-methyl-phenoxy)-1-[4-[3-(2-oxidanylphenoxy)propanoyl]piperazin-1-yl]propan-1-one Openeye Name: 3-(4-bromo-2-methyl-phenoxy)-1-[4-[3-(2-hydroxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one CAS Name: 3-(4-bromo-2-methylphenoxy)-1-[4-[3-(2-hydroxyphenoxy)-1-oxopropyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-bromo-2-methylphenoxy)-1-[4-[3-(2-hydroxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one Traditional Name: 3-(4-bromo-2-methyl-phenoxy)-1-[4-[3-(2-hydroxyphenoxy)propanoyl]piperazino]propan-1-one Formula: C23H27BrN2O5 MolecularWeight: 491.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCCC(=O)N2CCN(CC2)C(=O)CCOC3=CC=CC=C3O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCCC(=O)N2CCN(CC2)C(=O)CCOC3=CC=CC=C3O

InChI

InChI=1S/C23H27BrN2O5/c1-17-16-18(24)6-7-20(17)30-14-8-22(28)25-10-12-26(13-11-25)23(29)9-15-31-21-5-3-2-4-19(21)27/h2-7,16,27H,8-15H2,1H3