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

Systemtic Name: tert-butyl 4-[(E)-3-(6-ethoxy-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-(6-ethoxy-3-phenyl-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-3-(6-ethoxy-3-phenyl-5-benzofuranyl)-1-oxobut-2-enyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-3-(6-ethoxy-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-(6-ethoxy-3-phenyl-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C29H34N2O5 MolecularWeight: 490.59066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)OC=C2C3=CC=CC=C3)C(=CC(=O)N4CCN(CC4)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)OC=C2C3=CC=CC=C3)/C(=C/C(=O)N4CCN(CC4)C(=O)OC(C)(C)C)/C

InChI

InChI=1S/C29H34N2O5/c1-6-34-25-18-26-23(24(19-35-26)21-10-8-7-9-11-21)17-22(25)20(2)16-27(32)30-12-14-31(15-13-30)28(33)36-29(3,4)5/h7-11,16-19H,6,12-15H2,1-5H3/b20-16+