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

Systemtic Name: ethyl (E)-3-[3-[4-(2-bromanyl-4-methyl-phenoxy)butanoyloxy]phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[3-[4-(2-bromo-4-methyl-phenoxy)butanoyloxy]phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[3-[4-(2-bromo-4-methylphenoxy)-1-oxobutoxy]phenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-[4-(2-bromo-4-methylphenoxy)butanoyloxy]phenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[3-[4-(2-bromo-4-methyl-phenoxy)butanoyloxy]phenyl]-2-cyano-acrylic acid ethyl ester Formula: C23H22BrNO5 MolecularWeight: 472.32848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=CC=C1)OC(=O)CCCOC2=C(C=C(C=C2)C)Br)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=CC=C1)OC(=O)CCCOC2=C(C=C(C=C2)C)Br)/C#N

InChI

InChI=1S/C23H22BrNO5/c1-3-28-23(27)18(15-25)13-17-6-4-7-19(14-17)30-22(26)8-5-11-29-21-10-9-16(2)12-20(21)24/h4,6-7,9-10,12-14H,3,5,8,11H2,1-2H3/b18-13+