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

Systemtic Name: 3-(2-bromanyl-4-methyl-phenoxy)-1-[4-[3-(3-oxidanylphenoxy)propanoyl]piperazin-1-yl]propan-1-one Openeye Name: 3-(2-bromo-4-methyl-phenoxy)-1-[4-[3-(3-hydroxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one CAS Name: 3-(2-bromo-4-methylphenoxy)-1-[4-[3-(3-hydroxyphenoxy)-1-oxopropyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(2-bromo-4-methylphenoxy)-1-[4-[3-(3-hydroxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one Traditional Name: 3-(2-bromo-4-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=CC(=C(C=C1)OCCC(=O)N2CCN(CC2)C(=O)CCOC3=CC=CC(=C3)O)Br

Isomeric SMILES

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

InChI

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