[(1S)-2-oxidanylidenecyclohexyl] 3-methoxy-4-phenylmethoxy-benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-methoxy-4-phenylmethoxy-benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 4-benzyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-phenylmethoxybenzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 3-methoxy-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-3-methoxy-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC2CCCCC2=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O[C@H]2CCCCC2=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22O5/c1-24-20-13-16(21(23)26-18-10-6-5-9-17(18)22)11-12-19(20)25-14-15-7-3-2-4-8-15/h2-4,7-8,11-13,18H,5-6,9-10,14H2,1H3/t18-/m0/s1