[(1S)-2-oxidanylidenecyclohexyl] (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: [(1S)-2-oxocyclohexyl] (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid [(1S)-2-ketocyclohexyl] ester Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OC2CCCCC2=O)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)O[C@H]2CCCCC2=O)OCC#N

InChI

InChI=1S/C18H19NO5/c1-22-17-12-13(6-8-16(17)23-11-10-19)7-9-18(21)24-15-5-3-2-4-14(15)20/h6-9,12,15H,2-5,11H2,1H3/b9-7+/t15-/m0/s1