3-phenylpropyl 5-bromanyl-2-ethoxy-benzoate

Systemtic Name: 3-phenylpropyl 5-bromanyl-2-ethoxy-benzoate Openeye Name: 3-phenylpropyl 5-bromo-2-ethoxy-benzoate CAS Name: 5-bromo-2-ethoxybenzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-bromo-2-ethoxybenzoate Traditional Name: 5-bromo-2-ethoxy-benzoic acid 3-phenylpropyl ester Formula: C18H19BrO3 MolecularWeight: 363.24566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C18H19BrO3/c1-2-21-17-11-10-15(19)13-16(17)18(20)22-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,2,6,9,12H2,1H3