2-phenoxyethyl 3-bromanyl-4-butoxy-benzoate

Systemtic Name: 2-phenoxyethyl 3-bromanyl-4-butoxy-benzoate Openeye Name: 2-phenoxyethyl 3-bromo-4-butoxy-benzoate CAS Name: 3-bromo-4-butoxybenzoic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 3-bromo-4-butoxybenzoate Traditional Name: 3-bromo-4-butoxy-benzoic acid 2-phenoxyethyl ester Formula: C19H21BrO4 MolecularWeight: 393.27164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCCOC2=CC=CC=C2)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCCOC2=CC=CC=C2)Br

InChI

InChI=1S/C19H21BrO4/c1-2-3-11-23-18-10-9-15(14-17(18)20)19(21)24-13-12-22-16-7-5-4-6-8-16/h4-10,14H,2-3,11-13H2,1H3