[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C23H23BrN2O4 MolecularWeight: 471.34372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23BrN2O4/c1-15-19-14-17(24)8-9-20(19)30-21(15)23(28)29-16(2)22(27)26-12-10-25(11-13-26)18-6-4-3-5-7-18/h3-9,14,16H,10-13H2,1-2H3