[2-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]phenyl] 5-bromanylfuran-2-carboxylate

Systemtic Name: [2-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]phenyl] 5-bromanylfuran-2-carboxylate Openeye Name: [2-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]phenyl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [2-[(E)-3-(4-tert-butylphenyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [2-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]phenyl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [2-[(E)-3-(4-tert-butylphenyl)acryloyl]phenyl] ester Formula: C24H21BrO4 MolecularWeight: 453.32514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2OC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2OC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C24H21BrO4/c1-24(2,3)17-11-8-16(9-12-17)10-13-19(26)18-6-4-5-7-20(18)29-23(27)21-14-15-22(25)28-21/h4-15H,1-3H3/b13-10+