3-phenylpropyl 5-bromanyl-2-phenethyloxy-benzoate

Systemtic Name: 3-phenylpropyl 5-bromanyl-2-phenethyloxy-benzoate Openeye Name: 3-phenylpropyl 5-bromo-2-phenethyloxy-benzoate CAS Name: 5-bromo-2-phenethyloxybenzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-bromo-2-phenethyloxybenzoate Traditional Name: 5-bromo-2-phenethyloxy-benzoic acid 3-phenylpropyl ester Formula: C24H23BrO3 MolecularWeight: 439.34162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C24H23BrO3/c25-21-13-14-23(27-17-15-20-10-5-2-6-11-20)22(18-21)24(26)28-16-7-12-19-8-3-1-4-9-19/h1-6,8-11,13-14,18H,7,12,15-17H2