ethyl (E)-3-[(1S,3S,6R,7S)-4,7-dimethoxy-3-propanoyl-7-bicyclo[4.1.0]hept-4-enyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[(1S,3S,6R,7S)-4,7-dimethoxy-3-propanoyl-7-bicyclo[4.1.0]hept-4-enyl]prop-2-enoate Openeye Name: ethyl (E)-3-[(1S,3S,6R,7S)-4,7-dimethoxy-3-propanoyl-7-bicyclo[4.1.0]hept-4-enyl]prop-2-enoate CAS Name: (E)-3-[(1S,3S,6R,7S)-4,7-dimethoxy-3-(1-oxopropyl)-7-bicyclo[4.1.0]hept-4-enyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(1S,3S,6R,7S)-4,7-dimethoxy-3-propanoyl-7-bicyclo[4.1.0]hept-4-enyl]prop-2-enoate Traditional Name: (E)-3-[(1S,3S,6R,7S)-4,7-dimethoxy-3-propionyl-7-bicyclo[4.1.0]hept-4-enyl]acrylic acid ethyl ester Formula: C17H24O5 MolecularWeight: 308.36946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1CC2C(C2(C=CC(=O)OCC)OC)C=C1OC

Isomeric SMILES

CCC(=O)[C@H]1C[C@H]2[C@H]([C@@]2(/C=C/C(=O)OCC)OC)C=C1OC

InChI

InChI=1S/C17H24O5/c1-5-14(18)11-9-12-13(10-15(11)20-3)17(12,21-4)8-7-16(19)22-6-2/h7-8,10-13H,5-6,9H2,1-4H3/b8-7+/t11-,12+,13-,17+/m1/s1