ethyl 4-[(E)-3-(6-ethoxy-2,3,7-trimethyl-1-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(E)-3-(6-ethoxy-2,3,7-trimethyl-1-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-3-(6-ethoxy-2,3,7-trimethyl-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-3-(6-ethoxy-2,3,7-trimethyl-5-benzofuranyl)-1-oxobut-2-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(6-ethoxy-2,3,7-trimethyl-1-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-(6-ethoxy-2,3,7-trimethyl-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H32N2O5 MolecularWeight: 428.52128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C(OC2=C1C)C)C)C(=CC(=O)N3CCN(CC3)C(=O)OCC)C

Isomeric SMILES

CCOC1=C(C=C2C(=C(OC2=C1C)C)C)/C(=C/C(=O)N3CCN(CC3)C(=O)OCC)/C

InChI

InChI=1S/C24H32N2O5/c1-7-29-22-17(5)23-20(16(4)18(6)31-23)14-19(22)15(3)13-21(27)25-9-11-26(12-10-25)24(28)30-8-2/h13-14H,7-12H2,1-6H3/b15-13+