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

Systemtic Name: methyl (E)-3-[4-[4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoyloxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[4-[4-(2-bromo-4-isopropyl-phenoxy)butanoyloxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-[4-(2-bromo-4-propan-2-ylphenoxy)-1-oxobutoxy]-3-methoxyphenyl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[4-(2-bromo-4-propan-2-ylphenoxy)butanoyloxy]-3-methoxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-[4-(2-bromo-4-isopropyl-phenoxy)butanoyloxy]-3-methoxy-phenyl]-2-cyano-acrylic acid methyl ester Formula: C25H26BrNO6 MolecularWeight: 516.38104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)OCCCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)OC)OC)Br

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)OCCCC(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)OC)OC)Br

InChI

InChI=1S/C25H26BrNO6/c1-16(2)18-8-10-21(20(26)14-18)32-11-5-6-24(28)33-22-9-7-17(13-23(22)30-3)12-19(15-27)25(29)31-4/h7-10,12-14,16H,5-6,11H2,1-4H3/b19-12+