[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 2-(5,6-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(5,6-dimethyl-3-benzofuranyl)acetic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(5,6-dimethylbenzofuran-3-yl)acetic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C21H20O4 MolecularWeight: 336.3811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)CC2=COC3=CC(=C(C=C32)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)CC2=COC3=CC(=C(C=C32)C)C

InChI

InChI=1S/C21H20O4/c1-13-4-6-16(7-5-13)19(22)12-25-21(23)10-17-11-24-20-9-15(3)14(2)8-18(17)20/h4-9,11H,10,12H2,1-3H3