methyl 2-[4-(5-bromanyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]-2-(4-chlorophenyl)ethanoate

Systemtic Name: methyl 2-[4-(5-bromanyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]-2-(4-chlorophenyl)ethanoate Openeye Name: methyl 2-[4-(5-bromo-2-hydroxy-benzoyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate CAS Name: 2-[4-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-1-piperazinyl]-2-(4-chlorophenyl)acetic acid methyl ester IUPAC Name: methyl 2-[4-(5-bromo-2-hydroxybenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate Traditional Name: 2-[4-(5-bromo-2-hydroxy-benzoyl)piperazino]-2-(4-chlorophenyl)acetic acid methyl ester Formula: C20H20BrClN2O4 MolecularWeight: 467.7408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

COC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C20H20BrClN2O4/c1-28-20(27)18(13-2-5-15(22)6-3-13)23-8-10-24(11-9-23)19(26)16-12-14(21)4-7-17(16)25/h2-7,12,18,25H,8-11H2,1H3