ethyl (E)-3-[4-[3-(4-tert-butylphenyl)propanoyloxy]-3-ethoxy-phenyl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[3-(4-tert-butylphenyl)propanoyloxy]-3-ethoxy-phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[4-[3-(4-tert-butylphenyl)propanoyloxy]-3-ethoxy-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-[3-(4-tert-butylphenyl)-1-oxopropoxy]-3-ethoxyphenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[3-(4-tert-butylphenyl)propanoyloxy]-3-ethoxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-[3-(4-tert-butylphenyl)propanoyloxy]-3-ethoxy-phenyl]-2-cyano-acrylic acid ethyl ester Formula: C27H31NO5 MolecularWeight: 449.53874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)OCC)OC(=O)CCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OCC)OC(=O)CCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C27H31NO5/c1-6-31-24-17-20(16-21(18-28)26(30)32-7-2)10-14-23(24)33-25(29)15-11-19-8-12-22(13-9-19)27(3,4)5/h8-10,12-14,16-17H,6-7,11,15H2,1-5H3/b21-16+