[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 3-(ethoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(ethoxymethyl)-2-benzofurancarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(ethoxymethyl)coumarilic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C22H22O5 MolecularWeight: 366.40708

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)COCC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)COCC

InChI

InChI=1S/C22H22O5/c1-3-15-9-11-16(12-10-15)19(23)14-26-22(24)21-18(13-25-4-2)17-7-5-6-8-20(17)27-21/h5-12H,3-4,13-14H2,1-2H3