[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl] ester Formula: C23H23BrN2O5 MolecularWeight: 487.34312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H23BrN2O5/c1-15-19-13-16(24)3-8-20(19)31-22(15)23(28)30-14-21(27)26-11-9-25(10-12-26)17-4-6-18(29-2)7-5-17/h3-8,13H,9-12,14H2,1-2H3