[(1S)-2-oxidanylidenecyclohexyl] 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [(1S)-2-ketocyclohexyl] ester Formula: C16H16O4 MolecularWeight: 272.29584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OC3CCCCC3=O

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)O[C@H]3CCCCC3=O

InChI

InChI=1S/C16H16O4/c1-10-11-6-2-4-8-13(11)19-15(10)16(18)20-14-9-5-3-7-12(14)17/h2,4,6,8,14H,3,5,7,9H2,1H3/t14-/m0/s1