methyl 3-bromanyl-5-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-benzoate

Systemtic Name: methyl 3-bromanyl-5-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-benzoate Openeye Name: methyl 3-bromo-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzoate CAS Name: 3-bromo-5-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzoate Traditional Name: 3-bromo-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C19H18BrFN2O3 MolecularWeight: 421.260223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrFN2O3/c1-26-19(25)14-10-13(11-15(20)12-14)18(24)23-8-6-22(7-9-23)17-4-2-16(21)3-5-17/h2-5,10-12H,6-9H2,1H3