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

Systemtic Name: tert-butyl 4-[(E)-3-(6-ethoxy-2,3-dimethyl-1-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-(6-ethoxy-2,3-dimethyl-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-3-(6-ethoxy-2,3-dimethyl-5-benzofuranyl)-1-oxobut-2-enyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-3-(6-ethoxy-2,3-dimethyl-1-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-(6-ethoxy-2,3-dimethyl-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H34N2O5 MolecularWeight: 442.54786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C(OC2=C1)C)C)C(=CC(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCOC1=C(C=C2C(=C(OC2=C1)C)C)/C(=C/C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)/C

InChI

InChI=1S/C25H34N2O5/c1-8-30-21-15-22-20(17(3)18(4)31-22)14-19(21)16(2)13-23(28)26-9-11-27(12-10-26)24(29)32-25(5,6)7/h13-15H,8-12H2,1-7H3/b16-13+