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

Systemtic Name: 3-(4-bromanyl-2-methyl-phenoxy)-1-[4-[3-(3-oxidanylphenoxy)propanoyl]piperazin-1-yl]propan-1-one Openeye Name: 3-(4-bromo-2-methyl-phenoxy)-1-[4-[3-(3-hydroxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one CAS Name: 3-(4-bromo-2-methylphenoxy)-1-[4-[3-(3-hydroxyphenoxy)-1-oxopropyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-bromo-2-methylphenoxy)-1-[4-[3-(3-hydroxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one Traditional Name: 3-(4-bromo-2-methyl-phenoxy)-1-[4-[3-(3-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(=C3)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCCC(=O)N2CCN(CC2)C(=O)CCOC3=CC=CC(=C3)O

InChI

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