[(1S)-2-oxidanylidenecyclohexyl] (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate Openeye Name: [(1S)-2-oxocyclohexyl] (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate CAS Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propenoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate Traditional Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)acrylic acid [(1S)-2-ketocyclohexyl] ester Formula: C18H20O6 MolecularWeight: 332.3478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C=CC(=O)OC3CCCCC3=O

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)/C=C/C(=O)O[C@H]3CCCCC3=O

InChI

InChI=1S/C18H20O6/c1-21-15-10-12(11-16-18(15)23-9-8-22-16)6-7-17(20)24-14-5-3-2-4-13(14)19/h6-7,10-11,14H,2-5,8-9H2,1H3/b7-6+/t14-/m0/s1