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

Systemtic Name: tert-butyl 4-[(E)-3-(6-methoxy-2,3,7-trimethyl-1-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-(6-methoxy-2,3,7-trimethyl-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-3-(6-methoxy-2,3,7-trimethyl-5-benzofuranyl)-1-oxobut-2-enyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-3-(6-methoxy-2,3,7-trimethyl-1-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-(6-methoxy-2,3,7-trimethyl-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:

CC1=C(OC2=C(C(=C(C=C12)C(=CC(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C)OC)C)C

Isomeric SMILES

CC1=C(OC2=C(C(=C(C=C12)/C(=C/C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)/C)OC)C)C

InChI

InChI=1S/C25H34N2O5/c1-15(19-14-20-16(2)18(4)31-23(20)17(3)22(19)30-8)13-21(28)26-9-11-27(12-10-26)24(29)32-25(5,6)7/h13-14H,9-12H2,1-8H3/b15-13+