phenethyl (E)-2-cyano-3-(3-ethoxycarbonyloxy-4-methoxy-phenyl)prop-2-enoate

Systemtic Name: phenethyl (E)-2-cyano-3-(3-ethoxycarbonyloxy-4-methoxy-phenyl)prop-2-enoate Openeye Name: phenethyl (E)-2-cyano-3-(3-ethoxycarbonyloxy-4-methoxy-phenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3-ethoxycarbonyloxy-4-methoxyphenyl)-2-propenoic acid phenethyl ester IUPAC Name: phenethyl (E)-2-cyano-3-(3-ethoxycarbonyloxy-4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-carbethoxyoxy-4-methoxy-phenyl)-2-cyano-acrylic acid phenethyl ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=C(C=CC(=C1)C=C(C#N)C(=O)OCCC2=CC=CC=C2)OC

Isomeric SMILES

CCOC(=O)OC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OCCC2=CC=CC=C2)OC

InChI

InChI=1S/C22H21NO6/c1-3-27-22(25)29-20-14-17(9-10-19(20)26-2)13-18(15-23)21(24)28-12-11-16-7-5-4-6-8-16/h4-10,13-14H,3,11-12H2,1-2H3/b18-13+