ethyl 3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]benzofuran-2-carboxylate CAS Name: 3-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[(4-isobutyrylpiperazino)methyl]coumarilic acid ethyl ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CN3CCN(CC3)C(=O)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CN3CCN(CC3)C(=O)C(C)C

InChI

InChI=1S/C20H26N2O4/c1-4-25-20(24)18-16(15-7-5-6-8-17(15)26-18)13-21-9-11-22(12-10-21)19(23)14(2)3/h5-8,14H,4,9-13H2,1-3H3