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

Systemtic Name: [1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 3-(phenoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-benzofurancarboxylic acid [1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(phenoxymethyl)coumarilic acid [2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C27H24O5 MolecularWeight: 428.47646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3O2)COC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3O2)COC4=CC=CC=C4

InChI

InChI=1S/C27H24O5/c1-3-19-13-15-20(16-14-19)25(28)18(2)31-27(29)26-23(17-30-21-9-5-4-6-10-21)22-11-7-8-12-24(22)32-26/h4-16,18H,3,17H2,1-2H3