ethyl (E)-3-[4-[4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoyloxy]-3-ethoxy-phenyl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoyloxy]-3-ethoxy-phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[4-[4-(2-bromo-4-isopropyl-phenoxy)butanoyloxy]-3-ethoxy-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-[4-(2-bromo-4-propan-2-ylphenoxy)-1-oxobutoxy]-3-ethoxyphenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[4-(2-bromo-4-propan-2-ylphenoxy)butanoyloxy]-3-ethoxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-[4-(2-bromo-4-isopropyl-phenoxy)butanoyloxy]-3-ethoxy-phenyl]-2-cyano-acrylic acid ethyl ester Formula: C27H30BrNO6 MolecularWeight: 544.4342

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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=C(C=C(C=C2)C(C)C)Br

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OCC)OC(=O)CCCOC2=C(C=C(C=C2)C(C)C)Br

InChI

InChI=1S/C27H30BrNO6/c1-5-32-25-15-19(14-21(17-29)27(31)33-6-2)9-11-24(25)35-26(30)8-7-13-34-23-12-10-20(18(3)4)16-22(23)28/h9-12,14-16,18H,5-8,13H2,1-4H3/b21-14+