[5-(phenylmethyl)furan-3-yl]methyl 2-bromanyl-3,3-dimethyl-butanoate

Systemtic Name: [5-(phenylmethyl)furan-3-yl]methyl 2-bromanyl-3,3-dimethyl-butanoate Openeye Name: (5-benzyl-3-furyl)methyl 2-bromo-3,3-dimethyl-butanoate CAS Name: 2-bromo-3,3-dimethylbutanoic acid [5-(phenylmethyl)-3-furanyl]methyl ester IUPAC Name: (5-benzylfuran-3-yl)methyl 2-bromo-3,3-dimethylbutanoate Traditional Name: 2-bromo-3,3-dimethyl-butyric acid (5-benzyl-3-furyl)methyl ester Formula: C18H21BrO3 MolecularWeight: 365.26154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)OCC1=COC(=C1)CC2=CC=CC=C2)Br

Isomeric SMILES

CC(C)(C)C(C(=O)OCC1=COC(=C1)CC2=CC=CC=C2)Br

InChI

InChI=1S/C18H21BrO3/c1-18(2,3)16(19)17(20)22-12-14-10-15(21-11-14)9-13-7-5-4-6-8-13/h4-8,10-11,16H,9,12H2,1-3H3