[1-oxidanylidene-1-(4-propylphenyl)propan-2-yl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-(4-propylphenyl)propan-2-yl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(4-propylphenyl)ethyl] 3-(phenoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-benzofurancarboxylic acid [1-oxo-1-(4-propylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-propylphenyl)propan-2-yl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(phenoxymethyl)coumarilic acid [2-keto-1-methyl-2-(4-propylphenyl)ethyl] ester Formula: C28H26O5 MolecularWeight: 442.50304

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3O2)COC4=CC=CC=C4

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3O2)COC4=CC=CC=C4

InChI

InChI=1S/C28H26O5/c1-3-9-20-14-16-21(17-15-20)26(29)19(2)32-28(30)27-24(18-31-22-10-5-4-6-11-22)23-12-7-8-13-25(23)33-27/h4-8,10-17,19H,3,9,18H2,1-2H3