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

Systemtic Name: ethyl 4-[(E)-3-(6-ethoxy-2,3-dimethyl-1-benzofuran-5-yl)but-2-enoyl]piperazine-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H30N2O5 MolecularWeight: 414.4947

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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)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O5/c1-6-28-20-14-21-19(16(4)17(5)30-21)13-18(20)15(3)12-22(26)24-8-10-25(11-9-24)23(27)29-7-2/h12-14H,6-11H2,1-5H3/b15-12+