3-[[(1R,2S)-2-methylcyclohexyl]oxymethyl]-1-benzofuran-2-carboxylate

Systemtic Name: 3-[[(1R,2S)-2-methylcyclohexyl]oxymethyl]-1-benzofuran-2-carboxylate Openeye Name: 3-[[(1R,2S)-2-methylcyclohexoxy]methyl]benzofuran-2-carboxylate CAS Name: 3-[[(1R,2S)-2-methylcyclohexyl]oxymethyl]-2-benzofurancarboxylate IUPAC Name: 3-[[(1R,2S)-2-methylcyclohexyl]oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(1R,2S)-2-methylcyclohexoxy]methyl]coumarilate Formula: C17H19O4- MolecularWeight: 287.33036

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1OCC2=C(OC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@H]1OCC2=C(OC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C17H20O4/c1-11-6-2-4-8-14(11)20-10-13-12-7-3-5-9-15(12)21-16(13)17(18)19/h3,5,7,9,11,14H,2,4,6,8,10H2,1H3,(H,18,19)/p-1/t11-,14+/m0/s1