(1-oxidanylidene-1-phenyl-butan-2-yl) 3-bromanyl-4-methyl-benzoate

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 3-bromanyl-4-methyl-benzoate Openeye Name: 1-benzoylpropyl 3-bromo-4-methyl-benzoate CAS Name: 3-bromo-4-methylbenzoic acid (1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-2-yl) 3-bromo-4-methylbenzoate Traditional Name: 3-bromo-4-methyl-benzoic acid 1-benzoylpropyl ester Formula: C18H17BrO3 MolecularWeight: 361.22978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)C)Br

Isomeric SMILES

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)C)Br

InChI

InChI=1S/C18H17BrO3/c1-3-16(17(20)13-7-5-4-6-8-13)22-18(21)14-10-9-12(2)15(19)11-14/h4-11,16H,3H2,1-2H3