ethyl 4-[5-[(E)-2-(2-methoxyethoxycarbonyl)-3-oxidanylidene-but-1-enyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[(E)-2-(2-methoxyethoxycarbonyl)-3-oxidanylidene-but-1-enyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(E)-2-(2-methoxyethoxycarbonyl)-3-oxo-but-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-2-[2-methoxyethoxy(oxo)methyl]-3-oxobut-1-enyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(E)-2-(2-methoxyethoxycarbonyl)-3-oxobut-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-3-keto-2-(2-methoxyethoxycarbonyl)but-1-enyl]-2-furyl]benzoic acid ethyl ester Formula: C21H22O7 MolecularWeight: 386.39518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C(=O)C)C(=O)OCCOC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C(=O)C)/C(=O)OCCOC

InChI

InChI=1S/C21H22O7/c1-4-26-20(23)16-7-5-15(6-8-16)19-10-9-17(28-19)13-18(14(2)22)21(24)27-12-11-25-3/h5-10,13H,4,11-12H2,1-3H3/b18-13+