[(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1S)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [(1S)-2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H20O4 MolecularWeight: 336.3811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3O2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[C@H](C)OC(=O)C2=C(C3=CC=CC=C3O2)C)C

InChI

InChI=1S/C21H20O4/c1-12-9-10-16(11-13(12)2)19(22)15(4)24-21(23)20-14(3)17-7-5-6-8-18(17)25-20/h5-11,15H,1-4H3/t15-/m0/s1