(4-tert-butylphenyl)methyl 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl 3-methyl-1-benzofuran-2-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid (4-tert-butylbenzyl) ester Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H22O3/c1-14-17-7-5-6-8-18(17)24-19(14)20(22)23-13-15-9-11-16(12-10-15)21(2,3)4/h5-12H,13H2,1-4H3