[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C22H22O4 MolecularWeight: 350.40768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H22O4/c1-14-17-7-5-6-8-19(17)26-20(14)21(24)25-13-18(23)15-9-11-16(12-10-15)22(2,3)4/h5-12H,13H2,1-4H3