3-cyanopropyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate

Systemtic Name: 3-cyanopropyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Openeye Name: 3-cyanopropyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,4,5-trimethoxyphenyl)-2-propenoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-asarylacrylic acid 3-cyanopropyl ester Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=CC(=O)OCCCC#N)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=C/C(=O)OCCCC#N)OC)OC

InChI

InChI=1S/C16H19NO5/c1-19-13-11-15(21-3)14(20-2)10-12(13)6-7-16(18)22-9-5-4-8-17/h6-7,10-11H,4-5,9H2,1-3H3/b7-6+