[4-(2,4,4-trimethylpentan-2-yl)phenyl] (E)-3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoate

Systemtic Name: [4-(2,4,4-trimethylpentan-2-yl)phenyl] (E)-3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoate Openeye Name: [4-(1,1,3,3-tetramethylbutyl)phenyl] (E)-3-(5-bromo-2-ethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-ethoxyphenyl)-2-propenoic acid [4-(2,4,4-trimethylpentan-2-yl)phenyl] ester IUPAC Name: [4-(2,4,4-trimethylpentan-2-yl)phenyl] (E)-3-(5-bromo-2-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-ethoxy-phenyl)acrylic acid [4-(1,1,3,3-tetramethylbutyl)phenyl] ester Formula: C25H31BrO3 MolecularWeight: 459.41584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C=CC(=O)OC2=CC=C(C=C2)C(C)(C)CC(C)(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)/C=C/C(=O)OC2=CC=C(C=C2)C(C)(C)CC(C)(C)C

InChI

InChI=1S/C25H31BrO3/c1-7-28-22-14-11-20(26)16-18(22)8-15-23(27)29-21-12-9-19(10-13-21)25(5,6)17-24(2,3)4/h8-16H,7,17H2,1-6H3/b15-8+