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

Systemtic Name: tert-butyl 4-[(E)-3-(6-ethoxy-2,3,7-trimethyl-1-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C26H36N2O5 MolecularWeight: 456.57444

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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)OC(C)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O5/c1-9-31-23-18(4)24-21(17(3)19(5)32-24)15-20(23)16(2)14-22(29)27-10-12-28(13-11-27)25(30)33-26(6,7)8/h14-15H,9-13H2,1-8H3/b16-14+