ethyl (E)-3-[(3S)-4,4-dimethyl-3-oxidanyl-2,3-dihydro-1,5-benzodioxepin-7-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[(3S)-4,4-dimethyl-3-oxidanyl-2,3-dihydro-1,5-benzodioxepin-7-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[(3S)-3-hydroxy-4,4-dimethyl-2,3-dihydro-1,5-benzodioxepin-7-yl]prop-2-enoate CAS Name: (E)-3-[(3S)-3-hydroxy-4,4-dimethyl-2,3-dihydro-1,5-benzodioxepin-7-yl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(3S)-3-hydroxy-4,4-dimethyl-2,3-dihydro-1,5-benzodioxepin-7-yl]prop-2-enoate Traditional Name: (E)-3-[(3S)-3-hydroxy-4,4-dimethyl-2,3-dihydro-1,5-benzodioxepin-7-yl]acrylic acid ethyl ester Formula: C16H20O5 MolecularWeight: 292.327

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC2=C(C=C1)OCC(C(O2)(C)C)O

Isomeric SMILES

CCOC(=O)/C=C/C1=CC2=C(C=C1)OC[C@@H](C(O2)(C)C)O

InChI

InChI=1S/C16H20O5/c1-4-19-15(18)8-6-11-5-7-12-13(9-11)21-16(2,3)14(17)10-20-12/h5-9,14,17H,4,10H2,1-3H3/b8-6+/t14-/m0/s1