[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(phenoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-benzofurancarboxylic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(phenoxymethyl)coumarilic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C27H24O5 MolecularWeight: 428.47646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)COC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)COC4=CC=CC=C4)C)C

InChI

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