2-[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]oxyethyl benzoate

Systemtic Name: 2-[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]oxyethyl benzoate Openeye Name: 2-[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]oxyethyl benzoate CAS Name: benzoic acid 2-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-1-oxoprop-2-enoxy]ethyl ester IUPAC Name: 2-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]oxyethyl benzoate Traditional Name: benzoic acid 2-[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acryloyl]oxyethyl ester Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCCOC(=O)C2=CC=CC=C2)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCCOC(=O)C2=CC=CC=C2)OCC#N

InChI

InChI=1S/C21H19NO6/c1-25-19-15-16(7-9-18(19)26-12-11-22)8-10-20(23)27-13-14-28-21(24)17-5-3-2-4-6-17/h2-10,15H,12-14H2,1H3/b10-8+