ethyl 4-[(E)-3-(6-ethoxy-3-methyl-1-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(E)-3-(6-ethoxy-3-methyl-1-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-3-(6-ethoxy-3-methyl-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-3-(6-ethoxy-3-methyl-5-benzofuranyl)-1-oxobut-2-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(6-ethoxy-3-methyl-1-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-(6-ethoxy-3-methyl-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=COC2=C1)C)C(=CC(=O)N3CCN(CC3)C(=O)OCC)C

Isomeric SMILES

CCOC1=C(C=C2C(=COC2=C1)C)/C(=C/C(=O)N3CCN(CC3)C(=O)OCC)/C

InChI

InChI=1S/C22H28N2O5/c1-5-27-19-13-20-18(16(4)14-29-20)12-17(19)15(3)11-21(25)23-7-9-24(10-8-23)22(26)28-6-2/h11-14H,5-10H2,1-4H3/b15-11+