[4-[2-[4-(bromomethyl)-3-propan-2-yl-phenyl]ethynyl]phenyl] propanoate

Systemtic Name: [4-[2-[4-(bromomethyl)-3-propan-2-yl-phenyl]ethynyl]phenyl] propanoate Openeye Name: [4-[2-[4-(bromomethyl)-3-isopropyl-phenyl]ethynyl]phenyl] propanoate CAS Name: propanoic acid [4-[2-[4-(bromomethyl)-3-propan-2-ylphenyl]ethynyl]phenyl] ester IUPAC Name: [4-[2-[4-(bromomethyl)-3-propan-2-ylphenyl]ethynyl]phenyl] propanoate Traditional Name: propionic acid [4-[2-[4-(bromomethyl)-3-isopropyl-phenyl]ethynyl]phenyl] ester Formula: C21H21BrO2 MolecularWeight: 385.29424

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=C(C=C1)C#CC2=CC(=C(C=C2)CBr)C(C)C

Isomeric SMILES

CCC(=O)OC1=CC=C(C=C1)C#CC2=CC(=C(C=C2)CBr)C(C)C

InChI

InChI=1S/C21H21BrO2/c1-4-21(23)24-19-11-8-16(9-12-19)5-6-17-7-10-18(14-22)20(13-17)15(2)3/h7-13,15H,4,14H2,1-3H3