3-phenylpropyl 3-bromanyl-4-methoxy-benzoate

Systemtic Name: 3-phenylpropyl 3-bromanyl-4-methoxy-benzoate Openeye Name: 3-phenylpropyl 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid 3-phenylpropyl ester Formula: C17H17BrO3 MolecularWeight: 349.21908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCCCC2=CC=CC=C2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCCCC2=CC=CC=C2)Br

InChI

InChI=1S/C17H17BrO3/c1-20-16-10-9-14(12-15(16)18)17(19)21-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11H2,1H3