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

Systemtic Name: ethyl 4-[(E)-3-(6-ethoxy-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H30N2O5 MolecularWeight: 462.5375

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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)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O5/c1-4-32-24-17-25-22(23(18-34-25)20-9-7-6-8-10-20)16-21(24)19(3)15-26(30)28-11-13-29(14-12-28)27(31)33-5-2/h6-10,15-18H,4-5,11-14H2,1-3H3/b19-15+