[4-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]phenyl] 4-tert-butylbenzoate

Systemtic Name: [4-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]phenyl] 4-tert-butylbenzoate Openeye Name: [4-[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [4-[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]phenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [4-[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]phenyl] ester Formula: C27H25BrO4 MolecularWeight: 493.389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)C=CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)/C=C/C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C27H25BrO4/c1-27(2,3)21-10-5-19(6-11-21)26(30)32-23-13-7-18(8-14-23)24(29)15-9-20-17-22(28)12-16-25(20)31-4/h5-17H,1-4H3/b15-9+