ethyl (E)-2-cyano-3-[3-ethoxy-4-[4-(2-methylphenoxy)butanoyloxy]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[3-ethoxy-4-[4-(2-methylphenoxy)butanoyloxy]phenyl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[3-ethoxy-4-[4-(2-methylphenoxy)butanoyloxy]phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[3-ethoxy-4-[4-(2-methylphenoxy)-1-oxobutoxy]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[3-ethoxy-4-[4-(2-methylphenoxy)butanoyloxy]phenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[3-ethoxy-4-[4-(2-methylphenoxy)butanoyloxy]phenyl]acrylic acid ethyl ester Formula: C25H27NO6 MolecularWeight: 437.48498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)OCC)OC(=O)CCCOC2=CC=CC=C2C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OCC)OC(=O)CCCOC2=CC=CC=C2C

InChI

InChI=1S/C25H27NO6/c1-4-29-23-16-19(15-20(17-26)25(28)30-5-2)12-13-22(23)32-24(27)11-8-14-31-21-10-7-6-9-18(21)3/h6-7,9-10,12-13,15-16H,4-5,8,11,14H2,1-3H3/b20-15+