ethyl 4-[[(E)-3-(6-ethoxy-3,7-dimethyl-1-benzofuran-5-yl)but-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-3-(6-ethoxy-3,7-dimethyl-1-benzofuran-5-yl)but-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-3-(6-ethoxy-3,7-dimethyl-benzofuran-5-yl)but-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(6-ethoxy-3,7-dimethyl-5-benzofuranyl)-1-oxobut-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-3-(6-ethoxy-3,7-dimethyl-1-benzofuran-5-yl)but-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(6-ethoxy-3,7-dimethyl-benzofuran-5-yl)but-2-enoyl]amino]benzoic acid ethyl ester Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=COC2=C1C)C)C(=CC(=O)NC3=CC=C(C=C3)C(=O)OCC)C

Isomeric SMILES

CCOC1=C(C=C2C(=COC2=C1C)C)/C(=C/C(=O)NC3=CC=C(C=C3)C(=O)OCC)/C

InChI

InChI=1S/C25H27NO5/c1-6-29-23-17(5)24-21(16(4)14-31-24)13-20(23)15(3)12-22(27)26-19-10-8-18(9-11-19)25(28)30-7-2/h8-14H,6-7H2,1-5H3,(H,26,27)/b15-12+