methyl 3-bromanyl-4-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 3-bromanyl-4-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 4-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-oxo-ethoxy]-3-bromo-benzoate CAS Name: 4-[2-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethoxy]-3-bromobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-bromobenzoate Traditional Name: 4-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-keto-ethoxy]-3-bromo-benzoic acid methyl ester Formula: C22H22BrFN2O5 MolecularWeight: 493.322883

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)C(=O)OC)Br)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)C(=O)OC)Br)F

InChI

InChI=1S/C22H22BrFN2O5/c1-14(27)15-3-5-19(18(24)12-15)25-7-9-26(10-8-25)21(28)13-31-20-6-4-16(11-17(20)23)22(29)30-2/h3-6,11-12H,7-10,13H2,1-2H3