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

Systemtic Name: methyl 2-[4-(2-bromanyl-5-methoxy-phenyl)carbonylpiperazin-1-yl]-2-(4-chlorophenyl)ethanoate Openeye Name: methyl 2-[4-(2-bromo-5-methoxy-benzoyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate CAS Name: 2-[4-[(2-bromo-5-methoxyphenyl)-oxomethyl]-1-piperazinyl]-2-(4-chlorophenyl)acetic acid methyl ester IUPAC Name: methyl 2-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate Traditional Name: 2-[4-(2-bromo-5-methoxy-benzoyl)piperazino]-2-(4-chlorophenyl)acetic acid methyl ester Formula: C21H22BrClN2O4 MolecularWeight: 481.76738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C21H22BrClN2O4/c1-28-16-7-8-18(22)17(13-16)20(26)25-11-9-24(10-12-25)19(21(27)29-2)14-3-5-15(23)6-4-14/h3-8,13,19H,9-12H2,1-2H3