3-[3-bromanyl-5-methoxy-4-(2-phenoxyethoxy)phenyl]propanoate

Systemtic Name: 3-[3-bromanyl-5-methoxy-4-(2-phenoxyethoxy)phenyl]propanoate Openeye Name: 3-[3-bromo-5-methoxy-4-(2-phenoxyethoxy)phenyl]propanoate CAS Name: 3-[3-bromo-5-methoxy-4-(2-phenoxyethoxy)phenyl]propanoate IUPAC Name: 3-[3-bromo-5-methoxy-4-(2-phenoxyethoxy)phenyl]propanoate Traditional Name: 3-[3-bromo-5-methoxy-4-(2-phenoxyethoxy)phenyl]propionate Formula: C18H18BrO5- MolecularWeight: 394.23652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CCC(=O)[O-])Br)OCCOC2=CC=CC=C2

Isomeric SMILES

COC1=C(C(=CC(=C1)CCC(=O)[O-])Br)OCCOC2=CC=CC=C2

InChI

InChI=1S/C18H19BrO5/c1-22-16-12-13(7-8-17(20)21)11-15(19)18(16)24-10-9-23-14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3,(H,20,21)/p-1